Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50107101
Substrate
n/a
Meas. Tech.
ChEBML_88617
IC50
500000±n/a nM
Citation
 Dupont, R; Jeanson, L; Mouscadet, JF; Cotelle, P Synthesis and HIV-1 integrase inhibitory activities of catechol and bis-catechol derivatives. Bioorg Med Chem Lett 11:3175-8 (2001) [PubMed]  Article 
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:
BDBM50107101
Synonyms:
6-(2-Fluoro-phenyl)-5,7-dimethyl-naphthalene-2,3-diol | CHEMBL109113
Type:
Small organic molecule
Emp. Form.:
C18H15FO2
Mol. Mass.:
282.3089
SMILES:
Cc1cc2cc(O)c(O)cc2c(C)c1-c1ccccc1F |(14.38,-1.87,;13.05,-2.64,;11.72,-1.85,;10.39,-2.64,;9.04,-1.87,;7.71,-2.64,;6.38,-1.87,;7.71,-4.19,;6.38,-4.96,;9.04,-4.96,;10.37,-4.18,;11.72,-4.96,;11.7,-6.5,;13.05,-4.18,;14.38,-4.95,;14.36,-6.47,;15.68,-7.26,;17.02,-6.5,;17.02,-4.97,;15.71,-4.19,;15.73,-2.65,)|
Structure:
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