Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50127977
Substrate
n/a
Meas. Tech.
ChEMBL_159453 (CHEMBL766798)
IC50
0.110000±n/a nM
Citation
Lu, Z; Raghavan, S; Bohn, J; Charest, M; Stahlhut, MW; Rutkowski, CA; Simcoe, AL; Olsen, DB; Schleif, WA; Carella, A; Gabryelski, L; Jin, L; Lin, JH; Emini, E; Chapman, K; Tata, JR Design and synthesis of highly potent HIV protease inhibitors with activity against resistant virus. Bioorg Med Chem Lett 13:1821-4 (2003) [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:
BDBM50127977
Synonyms:
(R)-3-[(2S,4R)-2-Hydroxy-4-((3S,4S)-3-hydroxy-chroman-4-ylcarbamoyl)-5-phenyl-pentanoyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid (3,5-dimethyl-isothiazol-4-ylmethyl)-amide | CHEMBL300754
Type:
Small organic molecule
Emp. Form.:
C33H40N4O6S2
Mol. Mass.:
652.824
SMILES:
Cc1nsc(C)c1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12