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Target
Integrase
Ligand
BDBM22638
Substrate
n/a
Meas. Tech.
ChEMBL_585784 (CHEMBL1060098)
IC50
6.0±n/a nM
Citation
 Nizi, E; Orsale, MV; Crescenzi, B; Pescatore, G; Muraglia, E; Alfieri, A; Gardelli, C; Spieser, SA; Summa, V Dihydroxy-pyrimidine and N-methylpyrimidone HIV-integrase inhibitors: improving cell based activity by the quaternarization of a chiral center. Bioorg Med Chem Lett 19:4617-21 (2009) [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:
BDBM22638
Synonyms:
2-(4-acetyl-1-methylpiperazin-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide | N-Me-pyrimidone deriv., 37
Type:
Small organic molecule
Emp. Form.:
C20H24FN5O4
Mol. Mass.:
417.4341
SMILES:
CN1CCN(CC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C)C(C)=O
Structure:
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