Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50282086
Substrate
n/a
Meas. Tech.
ChEMBL_159640 (CHEMBL763584)
IC50
>10000±n/a nM
Citation
 Babine, RE; Zhang, N; Schow, SR; Jirousek, MR; Johnson, BD; Kerwar, SS; Desai, PR; Byrn, RA; Hastings, RC; Wick, MM Structure activity studies on pseudo-symmetrical HIV-1 protease inhibitors Bioorg Med Chem Lett 3:1589-1594 (1993)    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:
BDBM50282086
Synonyms:
(S)-2-((S)-2-{(2R,6R)-2-Benzyl-6-[(S)-1-((S)-1-methoxycarbonyl-2-methyl-propylcarbamoyl)-2-methyl-propylcarbamoyl]-4-oxo-7-phenyl-heptanoylamino}-3-methyl-butyrylamino)-3-methyl-butyric acid methyl ester | CHEMBL40710
Type:
Small organic molecule
Emp. Form.:
C43H62N4O9
Mol. Mass.:
778.9738
SMILES:
COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)Cc1ccccc1)C(C)C)C(C)C
Structure:
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