Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50467961
Substrate
n/a
Meas. Tech.
ChEMBL_1797400 (CHEMBL4269517)
EC50
3700±n/a nM
Citation
 Jentsch, NG; Hart, AP; Hume, JD; Sun, J; McNeely, KA; Lama, C; Pigza, JA; Donahue, MG; Kessl, JJ Synthesis and Evaluation of Aryl Quinolines as HIV-1 Integrase Multimerization Inhibitors. ACS Med Chem Lett 9:1007-1012 (2018) [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:
BDBM50467961
Synonyms:
CHEMBL4282671
Type:
Small organic molecule
Emp. Form.:
C24H27NO5
Mol. Mass.:
409.4749
SMILES:
COc1ccc(cc1OC)-c1c(C(OC(C)(C)C)C(O)=O)c(C)nc2ccccc12
Structure:
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