Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50282077
Substrate
n/a
Meas. Tech.
ChEMBL_159640 (CHEMBL763584)
IC50
5±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:
BDBM50282077
Synonyms:
(S)-2-((S)-2-{(2R,6R)-2-Butyl-4-hydroxy-6-[(S)-1-((S)-1-methoxycarbonyl-2-methyl-propylcarbamoyl)-2-methyl-propylcarbamoyl]-decanoylamino}-3-methyl-butyrylamino)-3-methyl-butyric acid methyl ester | CHEMBL39130
Type:
Small organic molecule
Emp. Form.:
C37H68N4O9
Mol. Mass.:
712.9572
SMILES:
CCCC[C@H](CC(O)C[C@@H](CCCC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC
Structure:
Search PDB for entries with ligand similarity: