Reaction Details Report a problem with these data
Target
Oxidized purine nucleoside triphosphate hydrolase
Ligand
BDBM227635
Substrate
BDBM227639
Meas. Tech.
In Vitro MTH1 Enzymatic Assay
pH
7.5±n/a
IC50
4.8e+3± 9e+2 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:
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:
MYWSNQITRRLGERVQGFMSGISPQQMGEPEGSWSGKNPGTMGASRLYTLVLVLQPQRVLLGMKKRGFGAGRWNGFGGKVQEGETIEDGARRELQEESGLTVDALHKVGQIVFEFVGEPELMDVHVFCTDSIQGTPVESDEMRPCWFQLDQIPFKDMWPDDSYWFPLLLQKKKFHGYFKFQGQDTILDYTLREVDTV
Inhibitor
Name:
BDBM227635
Synonyms:
MTH1 inhibitor, 122
Type:
Small organic molecule
Emp. Form.:
C8H12N6O
Mol. Mass.:
208.2205
SMILES:
COCCNc1nc(N)nc2[nH]cnc12