Reaction Details Report a problem with these data
Target
Oxidized purine nucleoside triphosphate hydrolase
Ligand
BDBM227637
Substrate
BDBM227639
Meas. Tech.
In Vitro MTH1 Enzymatic Assay
pH
7.5±n/a
IC50
1.4e+4± 2e+3 nM
Comments
extracted
Citation
Kumar, A; Kawamura, T; Kawatani, M; Osada, H; Zhang, KYJ Identification and structure-activity relationship of purine derivatives as novel MTH1 inhibitors. Chem Biol Drug Des 89:862-869 (2017) [PubMed] Article
More Info.:
Target
Name:
Oxidized purine nucleoside triphosphate hydrolase
Synonyms:
2-hydroxy-dATP diphosphatase | 3.6.1.- | 3.6.1.56 | 7,8-dihydro-8-oxoguanine triphosphatase | 8-oxo-dGTPase | 8ODP_HUMAN | MTH1 | Methylated purine nucleoside triphosphate hydrolase | MutT homolog 1 protein (MTH1) | NUDT1 | Nucleoside diphosphate-linked moiety X motif 1 | Nudix motif 1 | Oxidized purine nucleoside triphosphate hydrolase [42-197]
Type:
Protein
Mol. Mass.:
22514.81
Organism:
Homo sapiens (Human)
Description:
P36639
Residue:
156
Sequence:
MGASRLYTLVLVLQPQRVLLGMKKRGFGAGRWNGFGGKVQEGETIEDGARRELQEESGLTVDALHKVGQIVFEFVGEPELMDVHVFCTDSIQGTPVESDEMRPCWFQLDQIPFKDMWPDDSYWFPLLLQKKKFHGYFKFQGQDTILDYTLREVDTV
Inhibitor
Name:
BDBM227637
Synonyms:
MTH1 inhibitor, 131
Type:
Small organic molecule
Emp. Form.:
C10H13N5O
Mol. Mass.:
219.2431
SMILES:
C\C(CO)=C/CNc1ncnc2[nH]cnc12