Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50037528
Substrate
n/a
Meas. Tech.
ChEMBL_159296 (CHEMBL763336)
IC50
0.160000±n/a nM
Citation
Dorsey, BD; Levin, RB; McDaniel, SL; Vacca, JP; Guare, JP; Darke, PL; Zugay, JA; Emini, EA; Schleif, WA; Quintero, JC L-735,524: the design of a potent and orally bioavailable HIV protease inhibitor. J Med Chem 37:3443-51 (1994) [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:
BDBM50037528
Synonyms:
(S)-4-(2,5-Dimethyl-thiazole-4-sulfonyl)-1-[(2S,4R)-2-hydroxy-4-((R)-(R)-2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-piperazine-2-carboxylic acid tert-butylamide | CHEMBL116628
Type:
Small organic molecule
Emp. Form.:
C35H47N5O6S2
Mol. Mass.:
697.908
SMILES:
Cc1nc(c(C)s1)S(=O)(=O)N1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)NC2[C@H](O)Cc3ccccc23)[C@@H](C1)C(=O)NC(C)(C)C