Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM4685
Substrate
n/a
Meas. Tech.
ChEMBL_476088 (CHEMBL926963)
Ki
0.0068±n/a nM
Citation
Koh, Y; Matsumi, S; Das, D; Amano, M; Davis, DA; Li, J; Leschenko, S; Baldridge, A; Shioda, T; Yarchoan, R; Ghosh, AK; Mitsuya, H Potent inhibition of HIV-1 replication by novel non-peptidyl small molecule inhibitors of protease dimerization. J Biol Chem 282:28709-20 (2007) [PubMed] Article
More Info.:
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:
BDBM4685
Synonyms:
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-4-[2H-1,3-benzodioxole-5-(2-methylpropyl)sulfonamido]-3-hydroxy-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl}butan-2-yl]carbamate | CHEMBL206031 | GW0385 | [3H]GW0385
Type:
Small organic molecule
Emp. Form.:
C33H41N3O10S2
Mol. Mass.:
703.823
SMILES:
[H][C@]12OCC[C@@]1([H])[C@H](CO2)OC(=O)N[C@@H](Cc1ccc(OCc2csc(C)n2)cc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2OCOc2c1 |r|