Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50116913
Substrate
n/a
Meas. Tech.
ChEBML_221021
IC50
0.080000±n/a nM
Citation
 Duffy, JL; Kevin, NJ; Kirk, BA; Chapman, KT; Schleif, WA; Olsen, DB; Stahlhut, M; Rutkowski, CA; Kuo, LC; Jin, L; Lin, JH; Emini, EA; Tata, JR Synthesis and activity of novel HIV protease inhibitors with improved potency against multiple PI-resistant viral strains. Bioorg Med Chem Lett 12:2423-6 (2002) [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:
BDBM50116913
Synonyms:
(S)-4-(1-Furo[3,2-c]pyridin-2-yl-1-methyl-ethyl)-1-[(2S,4R)-2-hydroxy-4-((3S,4S)-3-hydroxy-chroman-4-ylcarbamoyl)-5-phenyl-pentyl]-piperazine-2-carboxylic acid tert-butylamide | CHEMBL312238
Type:
Small organic molecule
Emp. Form.:
C40H51N5O6
Mol. Mass.:
697.8628
SMILES:
CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)C(C)(C)c1cc2cnccc2o1
Structure:
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