Target
Env polyprotein
Ligand
BDBM50023611
Substrate
n/a
Meas. Tech.
ChEMBL_1455145 (CHEMBL3366758)
IC50
2840±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:
BDBM50023611
Synonyms:
CHEMBL2380932
Type:
Small organic molecule
Emp. Form.:
C186H283N51O64S
Mol. Mass.:
4289.606
SMILES:
CC[C@H](C)[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](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([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(N)=O |r|
Structure:
Search PDB for entries with ligand similarity: