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Target
Integrase
Ligand
BDBM50023439
Substrate
n/a
Meas. Tech.
ChEMBL_1448150 (CHEMBL3373171)
IC50
20000±n/a nM
Citation
 Zhang, D; Debnath, B; Yu, S; Sanchez, TW; Christ, F; Liu, Y; Debyser, Z; Neamati, N; Zhao, G Design and discovery of 5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide inhibitors of HIV-1 integrase. Bioorg Med Chem 22:5446-53 (2014) [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:
BDBM50023439
Synonyms:
CHEMBL3334640
Type:
Small organic molecule
Emp. Form.:
C18H13ClFN3O3
Mol. Mass.:
373.766
SMILES:
Oc1c(nc([nH]c1=O)-c1ccc(F)cc1)C(=O)NCc1cccc(Cl)c1
Structure:
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