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Target
Protease
Ligand
BDBM50485893
Substrate
n/a
Meas. Tech.
ChEMBL_875264 (CHEMBL2187146)
IC50
300±n/a nM
Citation
 Schimer, J; Cígler, P; Veselý, J; Grantz ?a?ková, K; Lep?ík, M; Brynda, J; Rezá?ová, P; Ko?í?ek, M; Císa?ová, I; Oberwinkler, H; Kraeusslich, HG; Konvalinka, J Structure-aided design of novel inhibitors of HIV protease based on a benzodiazepine scaffold. J Med Chem 55:10130-5 (2012) [PubMed]  Article 
Target
Name:
Protease
Synonyms:
n/a
Type:
Enzyme
Mol. Mass.:
10904.79
Organism:
Human immunodeficiency virus 1 (HIV-1)
Description:
Q9YQ12
Residue:
99
Sequence:
PQITLWQRPFVTIKIEGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQIVIEICGKKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM50485893
Synonyms:
CHEMBL2180491
Type:
Small organic molecule
Emp. Form.:
C45H42F2N4O4
Mol. Mass.:
740.8362
SMILES:
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C2c1ccccc1)C(=O)C(F)(F)C(=O)N1C(C2=C(CC(C)(C)CC2=O)Nc2ccccc12)c1ccccc1 |c:6,t:37|
Structure:
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