Reaction Details Report a problem with these data
Target
DNA polymerase beta
Ligand
BDBM50164648
Substrate
n/a
Meas. Tech.
ChEMBL_1661124 (CHEMBL4010736)
IC50
1400±n/a nM
Citation
 Kirschberg, TA; Metobo, S; Clarke, MO; Aktoudianakis, V; Babusis, D; Barauskas, O; Birkus, G; Butler, T; Byun, D; Chin, G; Doerffler, E; Edwards, TE; Fenaux, M; Lee, R; Lew, W; Mish, MR; Murakami, E; Park, Y; Squires, NH; Tirunagari, N; Wang, T; Whitcomb, M; Xu, J; Yang, H; Ye, H; Zhang, L; Appleby, TC; Feng, JY; Ray, AS; Cho, A; Kim, CU Discovery of a 2'-fluoro-2'-C-methyl C-nucleotide HCV polymerase inhibitor and a phosphoramidate prodrug with favorable properties. Bioorg Med Chem Lett 27:1840-1847 (2017) [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:
BDBM50164648
Synonyms:
2'-deoxythymidine triphosphate | 5'-TTP | CHEMBL363559 | dTTP | dThd5'PPP | deoxy-TTP | pppdT | thymidine 5'-(tetrahydrogen triphosphate) | thymidine 5'-triphosphate
Type:
Small organic molecule
Emp. Form.:
C10H17N2O14P3
Mol. Mass.:
482.1683
SMILES:
Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)[nH]c1=O |r|
Structure:
Search PDB for entries with ligand similarity: