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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50005389
Substrate
n/a
Meas. Tech.
ChEMBL_158030 (CHEMBL768621)
IC50
34±n/a nM
Citation
 Vieth, M; Cummins, DJ DoMCoSAR: a novel approach for establishing the docking mode that is consistent with the structure-activity relationship. Application to HIV-1 protease inhibitors and VEGF receptor tyrosine kinase inhibitors. J Med Chem 43:3020-32 (2000) [PubMed]
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:
BDBM50005389
Synonyms:
CHEMBL322221
Type:
Small organic molecule
Emp. Form.:
C33H40N2O4
Mol. Mass.:
528.6817
SMILES:
[H][C@](CC(O)[C@]([H])(Cc1ccccc1)NC(=O)OC(C)(C)C)(Cc1ccccc1)C(=O)N[C@@]1([H])CCc2ccccc12
Structure:
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