Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50107094
Substrate
n/a
Meas. Tech.
ChEBML_88617
IC50
22000±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:
BDBM50107094
Synonyms:
5,7-Dimethyl-6-(2-trifluoromethyl-phenyl)-naphthalene-2,3-diol | CHEMBL105883
Type:
Small organic molecule
Emp. Form.:
C19H15F3O2
Mol. Mass.:
332.3164
SMILES:
Cc1cc2cc(O)c(O)cc2c(C)c1-c1ccccc1C(F)(F)F |(11.98,-5.06,;10.62,-5.84,;9.29,-5.07,;7.96,-5.84,;6.63,-5.07,;5.3,-5.84,;3.95,-5.06,;5.3,-7.38,;3.95,-8.15,;6.63,-8.15,;7.96,-7.38,;9.29,-8.15,;9.29,-9.69,;10.62,-7.38,;11.95,-8.15,;11.95,-9.71,;13.28,-10.48,;14.64,-9.71,;14.64,-8.15,;13.3,-7.38,;13.3,-5.84,;13.3,-4.3,;11.76,-5.84,;14.84,-5.84,)|
Structure:
Search PDB for entries with ligand similarity: