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TargetIntegrase
LigandBDBM50045104
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1457167 (CHEMBL3369753)
IC50 8.2±n/a nM
Citation Johns, BAKawasuji, TWeatherhead, JGBoros, EEThompson, JBKoble, CSGarvey, EPFoster, SAJeffrey, JLFujiwara, T Naphthyridinone (NTD) integrase inhibitors 4. Investigating N1 acetamide substituent effects with C3 amide groups. Bioorg Med Chem Lett24:3104-7 (2014) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Integrase
Name:Integrase
Synonyms:pol
Type:PROTEIN
Mol. Mass.:32203.43
Organism:Human immunodeficiency virus 1
Description:ChEMBL_106649
Residue:288
Sequence:
FLDGIDKAQEEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGI
WQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSN
FTSTTVKAACWWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAV
FIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPVWKGPAK
LLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50045104
n/a
NameBDBM50045104
Synonyms:CHEMBL3309268
TypeSmall organic molecule
Emp. Form.C21H21FN4O4
Mol. Mass.412.4142
SMILESCCNC(=O)Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NC)c1=O
Structure
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