Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetOxidized purine nucleoside triphosphate hydrolase
LigandBDBM227631
Substrate/CompetitorBDBM227640
Meas. Tech.In Vitro MTH1 Enzymatic Assay
pH7.5±n/a
IC50 3.9e+3± 7e+2 nM
Commentsextracted
Citation Kumar, AKawamura, TKawatani, MOsada, HZhang, KYJ Identification and structure-activity relationship of purine derivatives as novel MTH1 inhibitors. Chem Biol Drug Des89:862-869 (2017) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Oxidized purine nucleoside triphosphate hydrolase
Name:Oxidized purine nucleoside triphosphate hydrolase
Synonyms:7,8-dihydro-8-oxoguanine triphosphatase | 8ODP_HUMAN | MTH1 | MutT homolog 1 protein (MTH1) | NUDT1
Type:Protein
Mol. Mass.:22514.81
Organism:Homo sapiens (Human)
Description:P36639
Residue:197
Sequence:
MYWSNQITRRLGERVQGFMSGISPQQMGEPEGSWSGKNPGTMGASRLYTLVLVLQPQRVL
LGMKKRGFGAGRWNGFGGKVQEGETIEDGARRELQEESGLTVDALHKVGQIVFEFVGEPE
LMDVHVFCTDSIQGTPVESDEMRPCWFQLDQIPFKDMWPDDSYWFPLLLQKKKFHGYFKF
QGQDTILDYTLREVDTV
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM227631
BDBM227640
NameBDBM227631
Synonyms:MTH1 inhibitor, 14
TypeSmall organic molecule
Emp. Form.C13H13N5
Mol. Mass.239.2758
SMILESC(Cc1ccccc1)Nc1ncnc2[nH]cnc12
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: