Target
Env polyprotein
Ligand
BDBM50023612
Substrate
n/a
Meas. Tech.
ChEMBL_1455145 (CHEMBL3366758)
IC50
8310±n/a nM
Citation
 Wang, CLu, LNa, HLi, XWang, QJiang, XXu, XYu, FZhang, TLi, JZhang, ZZheng, BLiang, GCai, LJiang, SLiu, K Conjugation of a nonspecific antiviral sapogenin with a specific HIV fusion inhibitor: a promising strategy for discovering new antiviral therapeutics. J Med Chem 57:7342-54 (2014) [PubMed]  Article 
Target
Name:
Env polyprotein
Synonyms:
ENV | GP41 | HIV1
Type:
PROTEIN
Mol. Mass.:
14017.92
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_109731
Residue:
124
Sequence:
FLGFLGAAGSTMGAASITLTVQARTLLSGIVQQQNNLLRAIEAQQHLLQLTVWGIKQLQARVLAVERYLQDQQLLGIWGCSGKHICTTTVPWNSSWSNKSLEEIWQNMTWMEWEREIDNYTGLI
  
Inhibitor
Name:
BDBM50023612
Synonyms:
CHEMBL3341852
Type:
Small organic molecule
Emp. Form.:
C177H280N44O56
Mol. Mass.:
3920.3783
SMILES:
[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCc1cn(CC(=O)NCCCC[C@H](NC(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(N)=O)nn1)C(C)=C |r|
Structure:
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