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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50059250
Substrate
n/a
Meas. Tech.
ChEMBL_159286 (CHEMBL764269)
IC50
10±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:
BDBM50059250
Synonyms:
CHEMBL70140 | {(1S,2S)-1-Benzyl-3-[(2S,5'S)-5'-benzyl-4-((R)-1-carbamoyl-2-phenyl-ethyl)-2-isobutyl-3,4'-dioxo-2,3,4',5'-tetrahydro-1H,1'H-[2,3']bipyrrolyl-5'-yl]-2-hydroxy-propyl}-carbamic acid tert-butyl ester
Type:
Small organic molecule
Emp. Form.:
C43H52N4O6
Mol. Mass.:
720.8962
SMILES:
CC(C)C[C@]1(N=CC([C@@H](Cc2ccccc2)C(N)=O)C1=O)C1C=N[C@](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)(Cc2ccccc2)C1=O |c:5,24|
Structure:
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