Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50489262
Substrate
n/a
Meas. Tech.
ChEMBL_934758 (CHEMBL2318645)
IC50
6.0±n/a nM
Citation
 Johns, BA; Kawasuji, T; Weatherhead, JG; Boros, EE; Thompson, JB; Koble, CS; Garvey, EP; Foster, SA; Jeffrey, JL; Fujiwara, T Naphthyridinone (NTD) integrase inhibitors: N1 protio and methyl combination substituent effects with C3 amide groups. Bioorg Med Chem Lett 23:422-5 (2013) [PubMed]  Article 
Target
Name:
Integrase
Synonyms:
pol
Type:
PROTEIN
Mol. Mass.:
32203.43
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_106649
Residue:
288
Sequence:
FLDGIDKAQEEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPVWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED
  
Inhibitor
Name:
BDBM50489262
Synonyms:
CHEMBL2316128
Type:
Small organic molecule
Emp. Form.:
C24H27FN4O3
Mol. Mass.:
438.4946
SMILES:
Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NCCCN2CCCC2)c1=O
Structure:
Search PDB for entries with ligand similarity: