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Target
Integrase
Ligand
BDBM50493910
Substrate
n/a
Meas. Tech.
ChEMBL_989068 (CHEMBL2445698)
IC50
2000±n/a nM
Citation
 Yu, S; Sanchez, TW; Liu, Y; Yin, Y; Neamati, N; Zhao, G Design and synthesis of novel pyrimidone analogues as HIV-1 integrase inhibitors. Bioorg Med Chem Lett 23:6134-7 (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:
BDBM50493910
Synonyms:
CHEMBL2442183
Type:
Small organic molecule
Emp. Form.:
C21H27FN4O4
Mol. Mass.:
418.4619
SMILES:
CC(=O)NCCCn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C(C)(C)C
Structure:
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