Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM383
Substrate
n/a
Meas. Tech.
ChEMBL_79807 (CHEMBL696067)
IC50
0.06±n/a nM
Citation
 Vacca, JP; Fitzgerald, PM; Holloway, MK; Hungate, RW; Starbuck, KE; Chen, LJ; Darke, PL; Anderson, PS; Huff, JR Conformationally constrained HIV-1 protease inhibitors Bioorg Med Chem Lett 4:499-504 (1994)    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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