Target
Integrase
Ligand
BDBM50042024
Substrate
n/a
Meas. Tech.
ChEMBL_1443856 (CHEMBL3373530)
IC50
12±n/a nM
Citation
 Naidu, BNSorenson, MEPatel, MUeda, YBanville, JBeaulieu, FBollini, SDicker, IBHigley, HLin, ZPajor, LParker, DDTerry, BJZheng, MMartel, AMeanwell, NAKrystal, MWalker, MA Synthesis and evaluation of C2-carbon-linked heterocyclic-5-hydroxy-6-oxo-dihydropyrimidine-4-carboxamides as HIV-1 integrase inhibitors. Bioorg Med Chem Lett 25:717-20 (2015) [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:
BDBM50042024
Synonyms:
CHEMBL3360130
Type:
Small organic molecule
Emp. Form.:
C20H25FN4O6S
Mol. Mass.:
468.499
SMILES:
CN(C)S(=O)(=O)c1cc(F)ccc1CNC(=O)c1nc(C2CCOCC2)n(C)c(=O)c1O
Structure:
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