Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50156139
Substrate
n/a
Meas. Tech.
ChEMBL_302776 (CHEMBL838839)
Ki
5000±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:
BDBM50156139
Synonyms:
3,4-Dihydroxy-1,6-bis-[3-(4-hydroxy-phenyl)-2-methyl-propionylamino]-1,6-dioxo-5-phenoxy-hexan-2-ol anion
Type:
Small organic molecule
Emp. Form.:
C32H35N2O10
Mol. Mass.:
607.6282
SMILES:
C[C@@H](Cc1ccc(O)cc1)C(=O)NC(=O)[C@H]([O-])[C@H](O)[C@@H](O)[C@@H](Oc1ccccc1)C(=O)NC(=O)[C@@H](C)Cc1ccc(O)cc1
Structure:
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