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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50062969
Substrate
n/a
Meas. Tech.
ChEMBL_159631 (CHEMBL881815)
IC50
1.9±n/a nM
Citation
 Kempf, DJ; Sham, HL; Marsh, KC; Flentge, CA; Betebenner, D; Green, BE; McDonald, E; Vasavanonda, S; Saldivar, A; Wideburg, NE; Kati, WM; Ruiz, L; Zhao, C; Fino, L; Patterson, J; Molla, A; Plattner, JJ; Norbeck, DW Discovery of ritonavir, a potent inhibitor of HIV protease with high oral bioavailability and clinical efficacy. J Med Chem 41:602-17 (1998) [PubMed]  Article 
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:
BDBM50062969
Synonyms:
CHEMBL346943 | {(1S,3S,4S)-1-Benzyl-3-hydroxy-4-[2-(4-isopropyl-thiazol-2-ylmethoxycarbonylamino)-3-methyl-butyrylamino]-5-phenyl-pentyl}-carbamic acid thiazol-5-ylmethyl ester
Type:
Small organic molecule
Emp. Form.:
C36H45N5O6S2
Mol. Mass.:
707.902
SMILES:
CC(C)C(NC(=O)OCc1nc(cs1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OCc1cncs1
Structure:
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