Brief Information of the Compound and Protein
Compound Name
(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S,41S,44S,47S,50S,53S,56S,59S,62S,65S,68S,71S,74S,77S,80S,83S,86S,89S,92S,95S)-56-((1H-imidazol-5-yl)methyl)-92-((1H-indol-3-yl)methyl)-17,32,74,77-tetrakis(2-amino-2-oxoethyl)-95-((S)-2-((S)-2-amino-3-(1H-indol-3-yl)propanamido)-4-(methylthio)butanamido)-11,26,29,35-tetrakis(3-amino-3-oxopropyl)-20-(4-aminobutyl)-47,59,80-tri-sec-butyl-8,14,23,41,44,83-hexakis(2-carboxyethyl)-89-(carboxymethyl)-86-(3-guanidinopropyl)-71-(4-hydroxybenzyl)-68-((R)-1-hydroxyethyl)-38,53,65-tris(hydroxymethyl)-2,5,50,62-tetraisobutyl-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91,94-hentriacontaoxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93-hentriacontaazaoctanonacontane-1,98-dioic acid
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PubChem ID
CID: 129909624
Canonical SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O
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Compound Formula C184H280N50O64S
Compound Structure
Protein Name
Envelope glycoprotein gp160
Protein Classification
Surface antigen
Uniprot ID
P04578
Gene Name
ENV
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000291 HL2/3 Homo sapiens (Human)  1
1
IC50 = 0.35 nM
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