Reaction Details  Report a problem with these data
Target
Integrase
Ligand
BDBM50123469
Substrate
n/a
Meas. Tech.
ChEMBL_90870 (CHEMBL699303)
IC50
40±n/a nM
Citation
 Mustata, GI; Brigo, A; Briggs, JM HIV-1 integrase pharmacophore model derived from diverse classes of inhibitors. Bioorg Med Chem Lett 14:1447-54 (2004) [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:
BDBM50123469
Synonyms:
(3-Benzyl-phenyl)-(8-hydroxy-[1,6]naphthyridin-7-yl)-methanone | (3-benzylphenyl)(8-hydroxy-1,6-naphthyridin-7-yl)methanone | CHEMBL36070
Type:
Small organic molecule
Emp. Form.:
C22H16N2O2
Mol. Mass.:
340.3746
SMILES:
Oc1c(ncc2cccnc12)C(=O)c1cccc(Cc2ccccc2)c1
Structure:
Search PDB for entries with ligand similarity: