Reaction Details
Report a problem with these data
Report a problem with these dataTarget
Integrase
Ligand
BDBM50067030
Substrate
n/a
Meas. Tech.
ChEMBL_88769 (CHEMBL857173)
IC50
708±n/a nM
Citation
Buolamwini, JK; Assefa, H CoMFA and CoMSIA 3D QSAR and docking studies on conformationally-restrained cinnamoyl HIV-1 integrase inhibitors: exploration of a binding mode at the active site. J Med Chem 45:841-52 (2002) [PubMed] Article More Info.:
Target
Name:
Integrase
Synonyms:
Human immunodeficiency virus type 1 integrase
Type:
PROTEIN
Mol. Mass.:
32231.48
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_90865
Residue:
288
Sequence:
FLDGIDKAQDEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTIHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVVESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPLWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKVKIIRDYGKQMAGDDCVASRQDED
Inhibitor
Name:
BDBM50067030
Synonyms:
(1E,4Z,6E)-1,7-Bis-(3,4-dihydroxy-phenyl)-5-hydroxy-hepta-1,4,6-trien-3-one | (1E,4Z,6E)-1,7-bis(3,4-dihydroxyphenyl)-5-hydroxyhepta-1,4,6-trien-3-one | 1,7-Bis-(3,4-dihydroxy-phenyl)-5-hydroxy-hepta-1,4,6-trien-3-one | 1,7-bis(3,4-dihydroxyphenyl)-5-hydroxyhepta-1,4,6-trien-3-one | CHEMBL129964
Type:
Small organic molecule
Emp. Form.:
C19H16O6
Mol. Mass.:
340.3267
SMILES:
Oc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(O)c2)cc1O |w:5.4,13.13|
Structure:
