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Browse result page of B3Pdb
The total number entries retrieved from this search are
140
, scroll left/right for detailed information.
B3pdbID
PEPTIDE NAME
PEPTIDE SEQUENCE (1-letter)
PEPTIDE SEQUENCE (3-letter)
N-TERMINAL MODIFICATION
C-TERMINAL MODIFICATION
CHEMICAL MODIFICATION
PEPTIDE LENGTH
PEPTIDE CONFORMATION
PEPTIDE NATURE
SOURCE/ORIGIN OF PEPTIDE
SMILES
CELL LINE
In vitro
CONCENTRATION
In vitro
METHOD
In vitro
RESULT
ANIMAL MODEL
In vivo
CONCENTRATION
In vivo
MODE OF DELIVERY
In vivo
METHOD
In vivo
RESULT
ACTION
TRANSPORT TYPE
SUBCELLULAR LOCALISATION
COMBINATION
PHYSICAL CONDITION
RESPONSE
RESULT
LABEL
PMID
b3pdb_0466
Exendin-4
HGEGTFTSDLSKQMEEEAVRLFIEWLKNGGPSSGAPPPS
His-Gly-Glu-Gly-Thr-Phe-Thr-Ser-Asp-Leu-Ser-Lys-Gln-Met-Glu-Glu-Glu-Ala-Val-Arg-Leu-Phe-Ile-Glu-Trp-Leu-Lys-Asn-Gly-Gly-Pro-Ser-Ser-Gly-Ala-Pro-Pro-Pro-Ser
NA
NA
NA
39
Linear
NA
human,bovine,mouse,rat,porcine
CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(C)C)C(=O) NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)NCC(=O)NCC(=O)N3CCCC3C(=O)NC(CO)C(=O)NC (CO)C(=O)NCC(=O)NC(C)C(=O)N4CCCC4C(=O)N5CCCC5C(=O)N6CCCC6C(=O)NC(CO)C(= O)N)NC(=O)C(CC7=CC=CC=C7)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(C(C) C)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C (CCSC)NC(=O)C(CCC(=O)N)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C (CC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CC8=CC=CC=C8)NC(=O)C(C(C)O)NC (=O)CNC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(CC9=CN=CN9)N
NA
NA
HPLC
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
% injected dose
60 %/g
Direct iodination
12629557
b3pdb_0467
Exendin-4
HGEGTFTSDLSKQMEEEAVRLFIEWLKNGGPSSGAPPPS
His-Gly-Glu-Gly-Thr-Phe-Thr-Ser-Asp-Leu-Ser-Lys-Gln-Met-Glu-Glu-Glu-Ala-Val-Arg-Leu-Phe-Ile-Glu-Trp-Leu-Lys-Asn-Gly-Gly-Pro-Ser-Ser-Gly-Ala-Pro-Pro-Pro-Ser
NA
NA
NA
39
Linear
NA
human,bovine,mouse,rat,porcine
CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(C)C)C(=O) NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)NCC(=O)NCC(=O)N3CCCC3C(=O)NC(CO)C(=O)NC (CO)C(=O)NCC(=O)NC(C)C(=O)N4CCCC4C(=O)N5CCCC5C(=O)N6CCCC6C(=O)NC(CO)C(= O)N)NC(=O)C(CC7=CC=CC=C7)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(C(C) C)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C (CCSC)NC(=O)C(CCC(=O)N)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C (CC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CC8=CC=CC=C8)NC(=O)C(C(C)O)NC (=O)CNC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(CC9=CN=CN9)N
NA
NA
Shake Flask
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
Log D
0.099
Direct iodination
12629557
b3pdb_0479
Deltorphin II, [D-Al
YaFEVVG-NH2
Tyr-(D)Ala-Phe-Glu-Val-Val-Gly-NH2
NA
7
Linear
NA
human,mouse,rat
O=C(N)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)Cc1ccc(O)cc1)C)Cc2ccccc2)CCC(=O)O)C(C)C)C(C)C
NA
NA
BMEC
NA
NA
NA
BMEC
NA
NA
NA
(saturable)
NA
NA
NA
Permeability coefficient
0.00003915 cm/s
NA
9152390
b3pdb_0489
Insulin
A-chain:GIVEQCCTSICSLYQLENYCN B-chain: FVNQHLCGSHLVEALYLVCGERGFFYTPKT
A-chain: Gly-Ile-Val-Glu-Gln-Cys-Cys-Thr-Ser-Ile-Cys-Ser-Leu-Tyr-Gln-Leu-Glu-Asn-Tyr-Cys-Asn B-chain:Phe-Val-Asn-Gln-His-Leu-Cys-Gly-Ser-His-Leu-Val-Glu-Ala-Leu-Tyr-Leu-Val-Cys-Gly-Glu-Arg-Gly-Phe-Phe-Tyr-Thr-Pro-Lys-Thr
NA
NA
Cys6A-Cys11A, Cys7A-Cys7B, Cys19B-Cys20A
51
Linear
NA
human,rat
[H]NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CNC=N2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N[H])CC2=CC=CC=C2)C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CNC=N2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CS)C(=O)N[
NA
NA
NA
NA
NA
NA
Intravenous
NA
NA
NA
Permeability
NA
NA
NA
Unidirectional influx rate constant
0.000168 mL/(g x min)
Direct iodination
15228601, 11337090
b3pdb_0490
Insulin
A-chain:GIVEQCCTSICSLYQLENYCN B-chain: FVNQHLCGSHLVEALYLVCGERGFFYTPKT
A-chain: Gly-Ile-Val-Glu-Gln-Cys-Cys-Thr-Ser-Ile-Cys-Ser-Leu-Tyr-Gln-Leu-Glu-Asn-Tyr-Cys-Asn B-chain:Phe-Val-Asn-Gln-His-Leu-Cys-Gly-Ser-His-Leu-Val-Glu-Ala-Leu-Tyr-Leu-Val-Cys-Gly-Glu-Arg-Gly-Phe-Phe-Tyr-Thr-Pro-Lys-Thr
NA
NA
Cys6A-Cys11A, Cys7A-Cys7B, Cys19B-Cys20A
51
Linear
NA
human,rat
[H]NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CNC=N2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N[H])CC2=CC=CC=C2)C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CNC=N2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CS)C(=O)N[
NA
NA
NA
NA
NA
NA
Intravenous
NA
NA
NA
Permeability
NA
NA
NA
Unidirectional influx rate constant
-0.00005 mL/(g x min)
Direct iodination
20032050
b3pdb_0491
Insulin
A-chain:GIVEQCCTSICSLYQLENYCN B-chain: FVNQHLCGSHLVEALYLVCGERGFFYTPKT
A-chain: Gly-Ile-Val-Glu-Gln-Cys-Cys-Thr-Ser-Ile-Cys-Ser-Leu-Tyr-Gln-Leu-Glu-Asn-Tyr-Cys-Asn B-chain:Phe-Val-Asn-Gln-His-Leu-Cys-Gly-Ser-His-Leu-Val-Glu-Ala-Leu-Tyr-Leu-Val-Cys-Gly-Glu-Arg-Gly-Phe-Phe-Tyr-Thr-Pro-Lys-Thr
NA
NA
Cys6A-Cys11A, Cys7A-Cys7B, Cys19B-Cys20A
51
Linear
NA
human,rat
[H]NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CNC=N2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N[H])CC2=CC=CC=C2)C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CNC=N2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CS)C(=O)N[
NA
NA
NA
NA
NA
NA
in situ brain perfusion
NA
NA
NA
Permeability
NA
NA
NA
Unidirectional flux rate constant
0.00086 mL/(g x min)
Direct iodination
15228601
b3pdb_0500
Ghrelin
GSS(octanoyl)FLSPEHQRVQQRKESKKPPAKLQPR
Gly-Ser-Ser(Octanoyl)-Phe-Leu-Ser-Pro-Glu-His-Gln-Arg-Val-Gln-Gln-Arg-Lys-Glu-Ser-Lys-Lys-Pro-Pro-Ala-Lys-Leu-Gln-Pro-Arg
NA
NA
NA
28
Linear
NA
human,rat
CCCCCCCC(=O)OCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)N2CCCC2C(=O)NC(CCC(=O)O)C(=O)NC(CC3=CNC=N3)C(=O)NC(CCC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)N4CCCC4C(=O)N5CCCC5C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)N6CCCC6C(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)C(CO)NC(=O)CN
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
b3pdb_0510
Amylin
KCNTATCATQRLANFLVRSSNNLGPVLPPTNVGSNTY
Lys-Cys-Asn-Thr-Ala-Thr-Cys-Ala-Thr-Gln-Arg-Leu-Ala-Asn-Phe-Leu-Val-Arg-Ser-Ser-Asn-Asn-Leu-Gly-Pro-Val-Leu-Pro-Pro-Thr-Asn-Val-Gly-Ser-Asn-Thr-Tyr
NA
NA
Cys2-Cys7
37
Linear
NA
human
[H]N[C@@H](CCCCN)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC1=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(N)=O
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
b3pdb_0550
β-Casomorphin-5
YPFPG
Tyr-Pro-Phe-Pro-Gly
NA
NA
NA
5
Linear
NA
human,bovine
O=C(NC(C(=O)NCC(=O)O)CC(C)C)C1NCCC1
NA
NA
Efflux study ICU
NA
NA
NA
NA
NA
NA
NA
saturable
NA
NA
NA
half life, brain
22.4 min
Direct iodination
8105102
b3pdb_0551
β-Casomorphin-5
YPFPG
Tyr-Pro-Phe-Pro-Gly
NA
NA
NA
5
Linear
NA
human,bovine
O=C(NC(C(=O)NCC(=O)O)CC(C)C)C1NCCC1
NA
NA
Efflux study ICU
NA
NA
NA
NA
NA
NA
NA
saturable
NA
NA
NA
Brain elemination rate constant
0.031 min-1
Direct iodination
8105102
b3pdb_0552
Melanocyte-stimulati
PLG-NH2
Pro-Leu-Gly-NH2
NA
NA
NA
3
Linear
NA
human,bovine
CC(C)CC(C(=O)NCC(=O)N)NC(=O)C1CCCN1
NA
NA
NA
NA
NA
NA
in situ brain perfusion
NA
NA
NA
saturable
NA
NA
NA
Unidirectional flux rate constant
0.00234 mL/(g x min)
Direct iodination
8786534
b3pdb_0553
Melanocyte-stimulati
PLG-NH2
Pro-Leu-Gly-NH2
NA
NA
NA
3
Linear
NA
human,bovine
CC(C)CC(C(=O)NCC(=O)N)NC(=O)C1CCCN1
NA
NA
NA
NA
NA
NA
in situ brain perfusion
NA
NA
NA
Permeability
NA
NA
NA
Initial distribution vaolume
0.0189 ml/g
Direct iodination
8786534
b3pdb_0554
Melanocyte-stimulati
PLG-NH2
Pro-Leu-Gly-NH2
NA
NA
NA
3
Linear
NA
human,bovine
CC(C)CC(C(=O)NCC(=O)N)NC(=O)C1CCCN1
NA
NA
NA
NA
NA
NA
in situ brain perfusion
NA
NA
NA
Permeability
NA
NA
NA
permiability constant
0.00000039 cm/s
Direct iodination
8786534
b3pdb_0555
Melanocyte-stimulati
PLG-NH2
Pro-Leu-Gly-NH2
NA
NA
NA
3
Linear
NA
human,bovine
CC(C)CC(C(=O)NCC(=O)N)NC(=O)C1CCCN1
NA
NA
HPLC
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
% injected dose
0.089 %/g
NA
8371162
b3pdb_0556
Melanocyte-stimulati
PLG-NH2
Pro-Leu-Gly-NH2
NA
NA
NA
3
Linear
NA
human,bovine
CC(C)CC(C(=O)NCC(=O)N)NC(=O)C1CCCN1
NA
NA
HPLC
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
half life, brain
173 min
Direct iodination
8786534
b3pdb_0557
Melanocyte-stimulati
PLG-NH2
Pro-Leu-Gly-NH2
NA
NA
NA
3
Linear
NA
human,bovine
CC(C)CC(C(=O)NCC(=O)N)NC(=O)C1CCCN1
NA
NA
HPLC
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
half life, brain
112 min
Direct iodination
8389867
b3pdb_0558
Melanocyte-stimulati
PLG-NH2
Pro-Leu-Gly-NH2
NA
NA
NA
3
Linear
NA
human,bovine
CC(C)CC(C(=O)NCC(=O)N)NC(=O)C1CCCN1
NA
NA
Shake Flask
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
Log P
-0.7
Direct iodination
8786534
b3pdb_0559
Melanocyte-stimulati
PLG-NH2
Pro-Leu-Gly-NH2
NA
NA
NA
3
Linear
NA
human,bovine
CC(C)CC(C(=O)NCC(=O)N)NC(=O)C1CCCN1
NA
NA
BMEC
NA
NA
NA
NA
NA
NA
NA
saturable
NA
NA
NA
Permeability coefficient
0.0000916667 cm/s
NA
8769896, 8786534
b3pdb_0584
D-Penicillamine-D-Pe
Y-Pen-GF-Pen
Tyr-(D)Pen-Gly-Phe-(D)Pen
NA
NA
(D)Pen2-(D)Pen5
5
Linear
NA
human
O=C(O)[C@@H]2NC(=O)[C@H](NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(SSC2(C)C)(C)C)Cc3ccccc3
NA
NA
NA
NA
NA
NA
in situ brain perfusion
NA
NA
NA
Permeability
NA
NA
NA
Unidirectional flux rate constant
0.0022 mL/(g x min)
Direct iodination
11714884
b3pdb_0585
D-Penicillamine-D-Pe
Y-Pen-GF-Pen
Tyr-(D)Pen-Gly-Phe-(D)Pen
NA
NA
(D)Pen2-(D)Pen5
5
Linear
NA
human
O=C(O)[C@@H]2NC(=O)[C@H](NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(SSC2(C)C)(C)C)Cc3ccccc3
NA
NA
NA
NA
NA
NA
in situ brain perfusion
NA
NA
NA
Permeability
NA
NA
NA
Initial distribution vaolume
0.0143 ml/g
Direct iodination
11714884
b3pdb_0586
D-Penicillamine-D-Pe
Y-Pen-GF-Pen
Tyr-(D)Pen-Gly-Phe-(D)Pen
NA
NA
(D)Pen2-(D)Pen5
5
Linear
NA
human
O=C(O)[C@@H]2NC(=O)[C@H](NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(SSC2(C)C)(C)C)Cc3ccccc3
NA
NA
Capillary depletion
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
Capillary depletion (parenchyma/serum)
0.00481 ml/g
Direct iodination
11714884
b3pdb_0587
D-Penicillamine-D-Pe
Y-Pen-GF-Pen
Tyr-(D)Pen-Gly-Phe-(D)Pen
NA
NA
(D)Pen2-(D)Pen5
5
Linear
NA
human
O=C(O)[C@@H]2NC(=O)[C@H](NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(SSC2(C)C)(C)C)Cc3ccccc3
NA
NA
Capillary depletion
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
Capillary depletion (capillary/serum)
0.00066 ml/g
Direct iodination
11714884
b3pdb_0588
D-Penicillamine-D-Pe
Y-Pen-GF-Pen
Tyr-(D)Pen-Gly-Phe-(D)Pen
NA
NA
(D)Pen2-(D)Pen5
5
Linear
NA
human
O=C(O)[C@@H]2NC(=O)[C@H](NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(SSC2(C)C)(C)C)Cc3ccccc3
NA
NA
Capillary depletion
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
% parenchyma
88%
Direct iodination
11714884
b3pdb_0589
D-Penicillamine-D-Pe
Y-Pen-GF-Pen
Tyr-(D)Pen-Gly-Phe-(D)Pen
NA
NA
(D)Pen2-(D)Pen5
5
Linear
NA
human
O=C(O)[C@@H]2NC(=O)[C@H](NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(SSC2(C)C)(C)C)Cc3ccccc3
NA
NA
Capillary depletion
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
% capillary
12%
Direct iodination
11714884
b3pdb_0590
D-Penicillamine-D-Pe
Y-Pen-GF-Pen
Tyr-(D)Pen-Gly-Phe-(D)Pen
NA
NA
(D)Pen2-(D)Pen5
5
Linear
NA
human
O=C(O)[C@@H]2NC(=O)[C@H](NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(SSC2(C)C)(C)C)Cc3ccccc3
NA
NA
HPLC
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
half life, serum
500 min
Direct iodination
11714884
b3pdb_0591
D-Penicillamine-D-Pe
Y-Pen-GF-Pen
Tyr-(D)Pen-Gly-Phe-(D)Pen
NA
NA
(D)Pen2-(D)Pen5
5
Linear
NA
human
O=C(O)[C@@H]2NC(=O)[C@H](NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(SSC2(C)C)(C)C)Cc3ccccc3
NA
NA
HPLC
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
half life, serum
500 min
Direct iodination
11714884
b3pdb_0592
D-Penicillamine-D-Pe
Y-Pen-GF-Pen
Tyr-(D)Pen-Gly-Phe-(D)Pen
NA
NA
(D)Pen2-(D)Pen5
5
Linear
NA
human
O=C(O)[C@@H]2NC(=O)[C@H](NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(SSC2(C)C)(C)C)Cc3ccccc3
NA
NA
Shake Flask
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
Log D
-0.602
Direct iodination
11714884
b3pdb_0598
Pancreatic Polypepti
APLEPEYPGDNATPEQMAQYAAELRRYINMLTRPRY
Ala-Pro-Leu-Glu-Pro-Glu-Tyr-Pro-Gly-Asp-Asn-Ala-Thr-Pro-Glu-Gln-Met-Ala-Gln-Tyr-Ala-Ala-Glu-Leu-Arg-Arg-Tyr-Ile-Asn-Met-Leu-Thr-Arg-Pro-Arg-Tyr
NA
36
Linear
NA
human
[H]N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O
NA
NA
Efflux study ICU
NA
NA
NA
NA
NA
NA
NA
non saturable
NA
NA
NA
half life, brain
43.6 min
Direct iodination
7617725
b3pdb_0599
Pancreatic Polypepti
APLEPEYPGDNATPEQMAQYAAELRRYINMLTRPRY
Ala-Pro-Leu-Glu-Pro-Glu-Tyr-Pro-Gly-Asp-Asn-Ala-Thr-Pro-Glu-Gln-Met-Ala-Gln-Tyr-Ala-Ala-Glu-Leu-Arg-Arg-Tyr-Ile-Asn-Met-Leu-Thr-Arg-Pro-Arg-Tyr
NA
36
Linear
NA
human
[H]N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O
NA
NA
Efflux study ICU
NA
NA
NA
NA
NA
NA
NA
non saturable
NA
NA
NA
Brain elemination rate constant
0.016 min-1
Direct iodination
7617725
b3pdb_0600
Pancreatic Polypepti
APLEPEYPGDNATPEQMAQYAAELRRYINMLTRPRY
Ala-Pro-Leu-Glu-Pro-Glu-Tyr-Pro-Gly-Asp-Asn-Ala-Thr-Pro-Glu-Gln-Met-Ala-Gln-Tyr-Ala-Ala-Glu-Leu-Arg-Arg-Tyr-Ile-Asn-Met-Leu-Thr-Arg-Pro-Arg-Tyr
NA
NA
NA
36
Linear
NA
human
[H]N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O
NA
NA
Shake Flask
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
Log P
-1.32
Direct iodination
7617725
b3pdb_0601
Pancreatic Polypepti
APLEPEYPGDNATPEQMAQYAAELRRYINMLTRPRY
Ala-Pro-Leu-Glu-Pro-Glu-Tyr-Pro-Gly-Asp-Asn-Ala-Thr-Pro-Glu-Gln-Met-Ala-Gln-Tyr-Ala-Ala-Glu-Leu-Arg-Arg-Tyr-Ile-Asn-Met-Leu-Thr-Arg-Pro-Arg-Tyr
NA
36
Linear
NA
human
[H]N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O
NA
NA
NA
NA
NA
NA
Intravenous
NA
NA
NA
saturable
NA
NA
NA
Unidirectional influx rate constant
0.00115 mL/(g x min)
Direct iodination
7617725
b3pdb_0602
Pancreatic Polypepti
APLEPEYPGDNATPEQMAQYAAELRRYINMLTRPRY
Ala-Pro-Leu-Glu-Pro-Glu-Tyr-Pro-Gly-Asp-Asn-Ala-Thr-Pro-Glu-Gln-Met-Ala-Gln-Tyr-Ala-Ala-Glu-Leu-Arg-Arg-Tyr-Ile-Asn-Met-Leu-Thr-Arg-Pro-Arg-Tyr
NA
36
Linear
NA
human
[H]N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O
NA
NA
NA
NA
NA
NA
Intravenous
NA
NA
NA
Permeability
NA
NA
NA
Initial disrobution volume
0.0131 ml/g
Direct iodination
7617725
b3pdb_0603
Pancreatic Polypepti
APLEPEYPGDNATPEQMAQYAAELRRYINMLTRPRY
Ala-Pro-Leu-Glu-Pro-Glu-Tyr-Pro-Gly-Asp-Asn-Ala-Thr-Pro-Glu-Gln-Met-Ala-Gln-Tyr-Ala-Ala-Glu-Leu-Arg-Arg-Tyr-Ile-Asn-Met-Leu-Thr-Arg-Pro-Arg-Tyr
NA
36
Linear
NA
human
[H]N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O
NA
NA
NA
NA
NA
NA
Intravenous
NA
NA
NA
Permeability
NA
NA
NA
% injected dose
0.065 %/g
Direct iodination
7617725
b3pdb_0605
Delta sleep inducing
WAGGDASGE
Trp-Ala-Gly-Gly-Asp-Ala-Ser-Gly-Glu
NA
NA
NA
9
Linear
NA
human
O=C(O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)CNC(=O)C(NC(=O)C(N)Cc2c1ccccc1nc2)C)CC(=O)O)C)CO)CCC(=O)O
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
b3pdb_0620
Epidermal growth fac
NSDSECPLSHDGYCLHDGVCMYIEALDKYACNCVVGYIGERCQYRDLKWWELR
Asn-Ser-Asp-Ser-Glu-Cys-Pro-Leu-Ser-His-Asp-Gly-Tyr-Cys-Leu-His-Asp-Gly-Val-Cys-Met-Tyr-Ile-Glu-Ala-Leu-Asp-Lys-Tyr-Ala-Cys-Asn-Cys-Val-Val-Gly-Tyr-Ile-Gly-Glu-Arg-Cys-Gln-Tyr-Arg-Asp-Leu-Lys-Trp-Trp-Glu-Leu-Arg
NA
NA
Cys6-Cys20, Cys14-Cys31, Cys33-Cys42
53
Linear
NA
human,synthetic
[H]N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C
NA
NA
Efflux study ICU
NA
NA
NA
NA
NA
NA
NA
Permeability
NA
NA
NA
half life, brain
34 min
Direct iodination
10499427
b3pdb_0621
Epidermal growth fac
NSDSECPLSHDGYCLHDGVCMYIEALDKYACNCVVGYIGERCQYRDLKWWELR
Asn-Ser-Asp-Ser-Glu-Cys-Pro-Leu-Ser-His-Asp-Gly-Tyr-Cys-Leu-His-Asp-Gly-Val-Cys-Met-Tyr-Ile-Glu-Ala-Leu-Asp-Lys-Tyr-Ala-Cys-Asn-Cys-Val-Val-Gly-Tyr-Ile-Gly-Glu-Arg-Cys-Gln-Tyr-Arg-Asp-Leu-Lys-Trp-Trp-Glu-Leu-Arg
NA
NA
Cys6-Cys20, Cys14-Cys31, Cys33-Cys42
53
Linear
NA
human,synthetic
[H]N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C
NA
NA
Efflux study ICU
NA
NA
NA
NA
NA
NA
NA
Permeability
NA
NA
NA
Brain elemination rate constant
0.02 min-1
Direct iodination
10499427
b3pdb_0622
Epidermal growth fac
NSDSECPLSHDGYCLHDGVCMYIEALDKYACNCVVGYIGERCQYRDLKWWELR
Asn-Ser-Asp-Ser-Glu-Cys-Pro-Leu-Ser-His-Asp-Gly-Tyr-Cys-Leu-His-Asp-Gly-Val-Cys-Met-Tyr-Ile-Glu-Ala-Leu-Asp-Lys-Tyr-Ala-Cys-Asn-Cys-Val-Val-Gly-Tyr-Ile-Gly-Glu-Arg-Cys-Gln-Tyr-Arg-Asp-Leu-Lys-Trp-Trp-Glu-Leu-Arg
NA
NA
Cys6-Cys20, Cys14-Cys31, Cys33-Cys42
53
Linear
NA
human,synthetic
[H]N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C
NA
NA
Capillary depletion
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
Capillary depletion (parenchyma/serum)
0.0121 ml/g
Direct iodination
10499427
b3pdb_0623
Epidermal growth fac
NSDSECPLSHDGYCLHDGVCMYIEALDKYACNCVVGYIGERCQYRDLKWWELR
Asn-Ser-Asp-Ser-Glu-Cys-Pro-Leu-Ser-His-Asp-Gly-Tyr-Cys-Leu-His-Asp-Gly-Val-Cys-Met-Tyr-Ile-Glu-Ala-Leu-Asp-Lys-Tyr-Ala-Cys-Asn-Cys-Val-Val-Gly-Tyr-Ile-Gly-Glu-Arg-Cys-Gln-Tyr-Arg-Asp-Leu-Lys-Trp-Trp-Glu-Leu-Arg
NA
NA
Cys6-Cys20, Cys14-Cys31, Cys33-Cys42
53
Linear
NA
human,synthetic
[H]N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C
NA
NA
Capillary depletion
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
Capillary depletion (capillary/serum)
0.00684 ml/g
Direct iodination
10499427
b3pdb_0624
Epidermal growth fac
NSDSECPLSHDGYCLHDGVCMYIEALDKYACNCVVGYIGERCQYRDLKWWELR
Asn-Ser-Asp-Ser-Glu-Cys-Pro-Leu-Ser-His-Asp-Gly-Tyr-Cys-Leu-His-Asp-Gly-Val-Cys-Met-Tyr-Ile-Glu-Ala-Leu-Asp-Lys-Tyr-Ala-Cys-Asn-Cys-Val-Val-Gly-Tyr-Ile-Gly-Glu-Arg-Cys-Gln-Tyr-Arg-Asp-Leu-Lys-Trp-Trp-Glu-Leu-Arg
NA
NA
Cys6-Cys20, Cys14-Cys31, Cys33-Cys42
53
Linear
NA
human,synthetic
[H]N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C
NA
NA
Shake Flask
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
Log P
-1.37
Direct iodination
10499427
b3pdb_0625
Epidermal growth fac
NSDSECPLSHDGYCLHDGVCMYIEALDKYACNCVVGYIGERCQYRDLKWWELR
Asn-Ser-Asp-Ser-Glu-Cys-Pro-Leu-Ser-His-Asp-Gly-Tyr-Cys-Leu-His-Asp-Gly-Val-Cys-Met-Tyr-Ile-Glu-Ala-Leu-Asp-Lys-Tyr-Ala-Cys-Asn-Cys-Val-Val-Gly-Tyr-Ile-Gly-Glu-Arg-Cys-Gln-Tyr-Arg-Asp-Leu-Lys-Trp-Trp-Glu-Leu-Arg
NA
NA
Cys6-Cys20, Cys14-Cys31, Cys33-Cys42
53
Linear
NA
human,synthetic
[H]N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C
NA
NA
NA
NA
NA
NA
Intravenous
NA
NA
NA
saturable
NA
NA
NA
Unidirectional influx rate constant
0.00202 mL/(g x min)
Direct iodination
10499427
b3pdb_0632
Mahogany (1377-1428)
GLGGIPPPGQSGLAVASALVDISQQMPIVYKEKSGAVRNRKQQPPAQPGTCI
Gly-Leu-Gly-Gly-Ile-Pro-Pro-Pro-Gly-Gln-Ser-Gly-Leu-Ala-Val-Ala-Ser-Ala-Leu-Val-Asp-Ile-Ser-Gln-Gln-Met-Pro-Ile-Val-Tyr-Lys-Glu-Lys-Ser-Gly-Ala-Val-Arg-Asn-Arg-Lys-Gln-Gln-Pro-Pro-Ala-Gln-Pro-Gly-Thr-Cys-Ile
NA
52
Linear
NA
human
NA
NA
NA
Efflux study ICU
NA
NA
NA
NA
NA
NA
NA
Permeability
NA
NA
NA
half life, brain
29 min
Direct iodination
10900242
b3pdb_0633
Mahogany (1377-1428)
GLGGIPPPGQSGLAVASALVDISQQMPIVYKEKSGAVRNRKQQPPAQPGTCI
Gly-Leu-Gly-Gly-Ile-Pro-Pro-Pro-Gly-Gln-Ser-Gly-Leu-Ala-Val-Ala-Ser-Ala-Leu-Val-Asp-Ile-Ser-Gln-Gln-Met-Pro-Ile-Val-Tyr-Lys-Glu-Lys-Ser-Gly-Ala-Val-Arg-Asn-Arg-Lys-Gln-Gln-Pro-Pro-Ala-Gln-Pro-Gly-Thr-Cys-Ile
NA
52
Linear
NA
human
NA
NA
NA
Efflux study ICU
NA
NA
NA
NA
NA
NA
NA
Permeability
NA
NA
NA
Brain elemination rate constant
0.024 min-1
Direct iodination
10900242
b3pdb_0634
Mahogany (1377-1428)
GLGGIPPPGQSGLAVASALVDISQQMPIVYKEKSGAVRNRKQQPPAQPGTCI
Gly-Leu-Gly-Gly-Ile-Pro-Pro-Pro-Gly-Gln-Ser-Gly-Leu-Ala-Val-Ala-Ser-Ala-Leu-Val-Asp-Ile-Ser-Gln-Gln-Met-Pro-Ile-Val-Tyr-Lys-Glu-Lys-Ser-Gly-Ala-Val-Arg-Asn-Arg-Lys-Gln-Gln-Pro-Pro-Ala-Gln-Pro-Gly-Thr-Cys-Ile
NA
52
Linear
NA
human
NA
NA
NA
Capillary depletion
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
% parenchyma
98%
Direct iodination
10900242
b3pdb_0635
Mahogany (1377-1428)
GLGGIPPPGQSGLAVASALVDISQQMPIVYKEKSGAVRNRKQQPPAQPGTCI
Gly-Leu-Gly-Gly-Ile-Pro-Pro-Pro-Gly-Gln-Ser-Gly-Leu-Ala-Val-Ala-Ser-Ala-Leu-Val-Asp-Ile-Ser-Gln-Gln-Met-Pro-Ile-Val-Tyr-Lys-Glu-Lys-Ser-Gly-Ala-Val-Arg-Asn-Arg-Lys-Gln-Gln-Pro-Pro-Ala-Gln-Pro-Gly-Thr-Cys-Ile
NA
52
Linear
NA
human
NA
NA
NA
Capillary depletion
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
% capillary
2%
Direct iodination
10900242
b3pdb_0636
Mahogany (1377-1428)
GLGGIPPPGQSGLAVASALVDISQQMPIVYKEKSGAVRNRKQQPPAQPGTCI
Gly-Leu-Gly-Gly-Ile-Pro-Pro-Pro-Gly-Gln-Ser-Gly-Leu-Ala-Val-Ala-Ser-Ala-Leu-Val-Asp-Ile-Ser-Gln-Gln-Met-Pro-Ile-Val-Tyr-Lys-Glu-Lys-Ser-Gly-Ala-Val-Arg-Asn-Arg-Lys-Gln-Gln-Pro-Pro-Ala-Gln-Pro-Gly-Thr-Cys-Ile
NA
NA
NA
52
Linear
NA
human
NA
NA
NA
Shake Flask
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
Log P
-2.3
Direct iodination
10900242
b3pdb_0637
Mahogany (1377-1428)
GLGGIPPPGQSGLAVASALVDISQQMPIVYKEKSGAVRNRKQQPPAQPGTCI
Gly-Leu-Gly-Gly-Ile-Pro-Pro-Pro-Gly-Gln-Ser-Gly-Leu-Ala-Val-Ala-Ser-Ala-Leu-Val-Asp-Ile-Ser-Gln-Gln-Met-Pro-Ile-Val-Tyr-Lys-Glu-Lys-Ser-Gly-Ala-Val-Arg-Asn-Arg-Lys-Gln-Gln-Pro-Pro-Ala-Gln-Pro-Gly-Thr-Cys-Ile
NA
52
Linear
NA
human
NA
NA
NA
NA
NA
NA
NA
Intravenous
NA
NA
NA
saturable
NA
NA
NA
Unidirectional influx rate constant
0.00055 mL/(g x min)
Direct iodination
10900242
b3pdb_0656
3-methylprolinamide
Pyr-H-(3-Me)P
Pyr-His-(3-Me)Pro
NA
NA
NA
3
Linear
NA
human,synthetic
O=C(N1[C@@H](C(=O)O)C(C)CC1)[C@@H](NC(=O)[C@H]2NC(=O)CC2)Cc3ncnc3
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
b3pdb_0657
3,3-dimethylprolinam
Pyr-H-(3,3-Me)P
Pyr-His-(3,3-Me)Pro
NA
NA
NA
3
Linear
NA
human,mouse,rat,porcine
O=C(N1[C@H](C(=O)O)C(C)(C)CC1)[C@H](NC(=O)[C@H]2NC(=O)CC2)Cc3ncnc3
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
b3pdb_0676
p-[Cl-Phe4’4’] Bipha
YaG-(Cl)F-NH-NH-(Cl)F-GaY
[Tyr-(D)Ala-Gly-(Cl)Phe-NH]2
NA
NA
NA
8
Linear
NA
human
Clc1ccc(cc1)C[C@H](C(=O)NNC(=O)[C@H](NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C)Cc3ccc(Cl)cc3)NC(=O)CNC(=O)[C@H](NC(=O)[C@H](N)Cc4ccc(O)cc4)C
NA
NA
Shake Flask
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
NA
Log P
-0.11
Direct iodination
8786534
b3pdb_0677
JMV 2012
KKPYILKKPYIL
Lys-Lys-Pro-Tyr-Ile-Leu-Lys-Lys-Pro-Tyr-Ile-Leu
NA
NA
NA
12
Linear
NA
human,mouse,rat
O=C(NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(C)C)C(C)CC)Cc2ccc(O)cc2)CCC3)CCCCN)CCCCN)CC(C)C)C(C)CC)Cc4ccc(O)cc4)CCCCN)C(N)CCCCN
NA
NA
NA
NA
NA
NA
in situ brain perfusion
NA
NA
NA
saturable
NA
NA
NA
Unidirectional flux rate constant
0.00339 mL/(g x min)
Direct iodination
8786534
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IIITD/CB
Raghava's Group
IMTECH
CellPPDMOD
