Detailed description page of DenvInD
This page provides detail information of Selected ID DenvInD_166 |
| Primary information | |
|---|---|
| ID | DenvInD_166 |
| IUPAC | 3-[(1R,4S,7S,13S,19S,22S,25S,28R,31S,34S,40S,43S,46S,49S,52R,58S,64S,67S,72R,78S,81S,84S,87S,90S,93S)-67-amino-19,22,46,49,78,81-hexakis(3-carbamimidamidopropyl)-90-(2-carboxyethyl)-25,64-bis[(1R)-1-hydroxyethyl]-43,84,93-tris(hydroxymethyl)-40-(1H-indol-3-ylmethyl)-13-(2-methylpropyl)-3,6,12,15,18,21,24,27,30,33,39,42,45,48,51,54,57,63,66,69,71,74,77,80,83,86,89,92,95,98-triacontaoxo-4,31-di(propan-2-yl)-a,1a,4a,5a-tetrathia-2,5,11,14,17,20,23,26,29,32,38,41,44,47,50,53,56,62,65,70,73,76,79,82,85,88,91,94,97-nonacosazahexacyclo[70.26.4.428,52.07,11.034,38.058,62]hexahectan-87-yl]propanoic acid |
| CID | 46231132 |
| SID | 103726336 |
| AID | 460481 |
| SMILES | CC(C)CC1C(=O)N2CCCC2C(=O)NC(C(=O)NC3CSSCC(C(=O)NC(=O)CC(C(=O)NC(C(=O)N4CCCC4C(=O)NCC(=O)NC5CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)CCCNC(=N)N)CCCNC(=N)N)C(C)O)NC(=O)C(NC(=O)C6CCCN6C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC5=O)CCCNC(=N)N)CCCNC(=N)N)CO)CC7=CNC8=CC=CC=C87)C(C)C)C(C)O)N)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC3=O)CO)CCC(=O)O)CCC(=O)O)CO)CCCNC(=N)N)CCCNC(=N)N)C(C)C |
| IC50 | NA |
| Ki | 1.39 |
| EC50 | NA |
| CC50 | NA |
| PMID | 20042339 |
| Protein Name | NS3 Protease |