Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM4685
Substrate
n/a
Meas. Tech.
ChEMBL_345068 (CHEMBL869622)
Ki
0.0000150±n/a nM
Citation
Miller, JF; Andrews, CW; Brieger, M; Furfine, ES; Hale, MR; Hanlon, MH; Hazen, RJ; Kaldor, I; McLean, EW; Reynolds, D; Sammond, DM; Spaltenstein, A; Tung, R; Turner, EM; Xu, RX; Sherrill, RG Ultra-potent P1 modified arylsulfonamide HIV protease inhibitors: the discovery of GW0385. Bioorg Med Chem Lett 16:1788-94 (2006) [PubMed] Article
More Info.:
Target
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
Human immunodeficiency virus type 1 protease | POL_HV1H2 | Pol polyprotein | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10781.16
Organism:
Human immunodeficiency virus type 1
Description:
P04585[489-587]
Residue:
99
Sequence:
PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
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|