Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50283117
Substrate
n/a
Meas. Tech.
ChEBML_79469
IC50
>100000±n/a nM
Citation
 Kim, B; Vacca, JP; Fitzgerald, PM; Darke, PL; Holloway, M; Guare, JP; Hanifin, CM; Arford-Bickerstaff, DJ; Zugay, JA; Wai, JM; Anderson, PS; Huff, JR Novel conformationally constrained HIV-1 protease inhibitors: rational design, enzyme inhibition, and X-ray structure of an enzyme-inhibtor complex Bioorg Med Chem Lett 4:2199-2204 (1994)    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:
BDBM50283117
Synonyms:
((S)-1-{(S)-3-Hydroxy-1-[(S)-1-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-2-phenyl-ethyl]-piperidin-3-yl}-2-phenyl-ethyl)-carbamic acid tert-butyl ester | CHEMBL304594
Type:
Small organic molecule
Emp. Form.:
C36H45N3O5
Mol. Mass.:
599.7596
SMILES:
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@]1(O)CCCN(C1)[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Structure:
Search PDB for entries with ligand similarity: