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Target
Integrase
Ligand
BDBM50476539
Substrate
n/a
Meas. Tech.
ChEMBL_2249502 (CHEMBL5163712)
IC50
85±n/a nM
Citation
 He, T; Edwards, TC; Xie, J; Aihara, H; Geraghty, RJ; Wang, Z 4,5-Dihydroxypyrimidine Methyl Carboxylates, Carboxylic Acids, and Carboxamides as Inhibitors of Human Cytomegalovirus pUL89 Endonuclease. J Med Chem 65:5830-5849 (2022) [PubMed]  Article
Target
Name:
Integrase
Synonyms:
Human immunodeficiency virus type 1 integrase
Type:
PROTEIN
Mol. Mass.:
32231.48
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_90865
Residue:
288
Sequence:
FLDGIDKAQDEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTIHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVVESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPLWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKVKIIRDYGKQMAGDDCVASRQDED
  
Inhibitor
Name:
BDBM50476539
Synonyms:
CHEMBL437708
Type:
Small organic molecule
Emp. Form.:
C16H13N3O3S
Mol. Mass.:
327.358
SMILES:
Oc1nc(nc(C(=O)NCc2ccccc2)c1O)-c1cccs1
Structure:
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