Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM577
Substrate
n/a
Meas. Tech.
ChEMBL_491043 (CHEMBL982903)
Ki
0.180000±n/a nM
Citation
Kozísek, M; Cígler, P; Lepsík, M; Fanfrlík, J; Rezácová, P; Brynda, J; Pokorná, J; Plesek, J; Grüner, B; Grantz Sasková, K; Václavíková, J; Král, V; Konvalinka, J Inorganic polyhedral metallacarborane inhibitors of HIV protease: a new approach to overcoming antiviral resistance. J Med Chem 51:4839-43 (2008) [PubMed] Article
More Info.:
Target
Name:
Protease
Synonyms:
n/a
Type:
Enzyme
Mol. Mass.:
10904.79
Organism:
Human immunodeficiency virus type 1
Description:
Q9YQ12
Residue:
99
Sequence:
PQITLWQRPFVTIKIEGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQIVIEICGKKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
Inhibitor
Name:
BDBM577
Synonyms:
(3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-methylpropyl)sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]carbamate | 141W94 | APV | Agenerase | Amprenavir | BDBM50215393 | CHEMBL116 | VX-478
Type:
Small organic molecule
Emp. Form.:
C25H35N3O6S
Mol. Mass.:
505.627
SMILES:
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 |r|