Reaction Details Report a problem with these data
Target
Env polyprotein
Ligand
BDBM50023609
Substrate
n/a
Meas. Tech.
ChEMBL_1455145 (CHEMBL3366758)
IC50
8310±n/a nM
Citation
 Wang, C; Lu, L; Na, H; Li, X; Wang, Q; Jiang, X; Xu, X; Yu, F; Zhang, T; Li, J; Zhang, Z; Zheng, B; Liang, G; Cai, L; Jiang, S; Liu, 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:
BDBM50023609
Synonyms:
CHEMBL3341856
Type:
Small organic molecule
Emp. Form.:
C182H286N44O57
Mol. Mass.:
4002.4788
SMILES:
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)OCC=C)[C@@]1(C)CC[C@H](OC(=O)CCc1cn(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](Cc3cnc[nH]3)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)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)C2(C)C |r,t:9|
Structure:
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