Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50282090
Substrate
n/a
Meas. Tech.
ChEMBL_159640 (CHEMBL763584)
IC50
400±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:
BDBM50282090
Synonyms:
(S)-2-{(S)-2-[(R)-2-(2-{(R)-2-[(S)-1-((S)-1-Methoxycarbonyl-2-phenyl-ethylcarbamoyl)-3-methyl-butylcarbamoyl]-hexyl}-oxiranylmethyl)-hexanoylamino]-4-methyl-pentanoylamino}-3-phenyl-propionic acid methyl ester | CHEMBL20303
Type:
Small organic molecule
Emp. Form.:
C48H72N4O9
Mol. Mass.:
849.1067
SMILES:
CCCC[C@H](CC1(C[C@@H](CCCC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)OC)CO1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC
Structure:
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