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Target
DNA polymerase beta
Ligand
BDBM50333129
Substrate
n/a
Meas. Tech.
ChEMBL_1911310 (CHEMBL4413756)
IC50
>100000±n/a nM
Citation
 Mengshetti, S; Zhou, L; Sari, O; De Schutter, C; Zhang, H; Cho, JH; Tao, S; Bassit, LC; Verma, K; Domaoal, RA; Ehteshami, M; Jiang, Y; Ovadia, R; Kasthuri, M; Ollinger Russell, O; McBrayer, T; Whitaker, T; Pattassery, J; Pascual, ML; Uher, L; Lin, BY; Lee, S; Amblard, F; Coats, SJ; Schinazi, RF Discovery of a Series of 2'-?-Fluoro,2'-?-bromo-ribonucleosides and Their Phosphoramidate Prodrugs as Potent Pan-Genotypic Inhibitors of Hepatitis C Virus. J Med Chem 62:1859-1874 (2019) [PubMed]  Article
Target
Name:
DNA polymerase beta
Synonyms:
DNA polymerase beta (Pol β) | DPOLB_HUMAN | POLB
Type:
Protein
Mol. Mass.:
38188.76
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
335
Sequence:
MSKRKAPQETLNGGITDMLTELANFEKNVSQAIHKYNAYRKAASVIAKYPHKIKSGAEAKKLPGVGTKIAEKIDEFLATGKLRKLEKIRQDDTSSSINFLTRVSGIGPSAARKFVDEGIKTLEDLRKNEDKLNHHQRIGLKYFGDFEKRIPREEMLQMQDIVLNEVKKVDSEYIATVCGSFRRGAESSGDMDVLLTHPSFTSESTKQPKLLHQVVEQLQKVHFITDTLSKGETKFMGVCQLPSKNDEKEYPHRRIDIRLIPKDQYYCGVLYFTGSDIFNKNMRAHALEKGFTINEYTIRPLGVTGVAGEPLPVDSEKDIFDYIQWKYREPKDRSE
  
Inhibitor
Name:
BDBM50333129
Synonyms:
((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-4-methyltetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate | ({[({[(2R,3R,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid | CHEMBL486231 | beta-D-2'-deoxy-2'-fluoro-2'-C-methyluridine triphosphate
Type:
Small organic molecule
Emp. Form.:
C10H16FN2O14P3
Mol. Mass.:
500.1587
SMILES:
C[C@@]1(F)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1ccc(=O)[nH]c1=O |r|
Structure:
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