Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50146641
Substrate
n/a
Meas. Tech.
ChEMBL_157738 (CHEMBL765176)
Ki
42±n/a nM
Citation
 Pierce, AC; Rao, G; Bemis, GW BREED: Generating novel inhibitors through hybridization of known ligands. Application to CDK2, p38, and HIV protease. J Med Chem 47:2768-75 (2004) [PubMed]  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:
BDBM50146641
Synonyms:
CHEMBL96348 | {(S)-1-(R)-1-Benzyl-3-[(N-tert-Butylsulfonyl)-isobutyl-amino]-2-hydroxy-propyl}-carbamic acid (S)-(tetrahydro-furan-3-yl) ester
Type:
Small organic molecule
Emp. Form.:
C23H39N3O6S
Mol. Mass.:
485.637
SMILES:
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)NC(C)(C)C
Structure:
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