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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM751
Substrate
n/a
Meas. Tech.
ChEMBL_159286 (CHEMBL764269)
IC50
0.60±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:
BDBM751
Synonyms:
CHEMBL289195 | Hydroxyethylene dipeptide isostere | L-682,679 | tert-butyl N-[(2S,3S,5R)-5-benzyl-5-{[(1S)-1-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}-3-methylbutyl]carbamoyl}-3-hydroxy-1-phenylpentan-2-yl]carbamate
Type:
Small organic molecule
Emp. Form.:
C39H52N4O6
Mol. Mass.:
672.8534
SMILES:
CC(C)C[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Structure:
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