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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM383
Substrate
n/a
Meas. Tech.
ChEMBL_159286 (CHEMBL764269)
IC50
0.030000±n/a nM
Citation
 Smith, AB; Hirschmann, R; Pasternak, A; Yao, W; Sprengeler, PA; Holloway, MK; Kuo, LC; Chen, Z; Darke, PL; Schleif, WA An orally bioavailable pyrrolinone inhibitor of HIV-1 protease: computational analysis and X-ray crystal structure of the enzyme complex. J Med Chem 40:2440-4 (1997) [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:
BDBM383
Synonyms:
(3S)-oxolan-3-yl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-1-phenylpentan-2-yl]carbamate | Urethane deriv. 2
Type:
Small organic molecule
Emp. Form.:
C33H38N2O6
Mol. Mass.:
558.6646
SMILES:
O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1 |r|
Structure:
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