Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50156155
Substrate
n/a
Meas. Tech.
ChEMBL_302776 (CHEMBL838839)
Ki
0.8±n/a nM
Citation
 Shuman, CF; Vrang, L; Danielson, UH Improved structure-activity relationship analysis of HIV-1 protease inhibitors using interaction kinetic data. J Med Chem 47:5953-61 (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:
BDBM50156155
Synonyms:
1,6-Bis-(2,3-dimethyl-butyrylamino)-3,4-dihydroxy-1,6-dioxo-5-(4-phenethyl-phenoxy)-hexan-2-ol anion
Type:
Small organic molecule
Emp. Form.:
C32H43N2O8
Mol. Mass.:
583.693
SMILES:
CC(C)[C@H](C)C(=O)NC(=O)[C@H]([O-])[C@H](O)[C@@H](O)[C@@H](Oc1ccc(CCc2ccccc2)cc1)C(=O)NC(=O)[C@@H](C)C(C)C
Structure:
Search PDB for entries with ligand similarity: