Reaction Details Report a problem with these data
Target
Oxidized purine nucleoside triphosphate hydrolase
Ligand
BDBM50241664
Substrate
n/a
Meas. Tech.
ChEMBL_1670159 (CHEMBL4020047)
IC50
23000±n/a nM
Citation
 Rudling, A; Gustafsson, R; Almlöf, I; Homan, E; Scobie, M; Warpman Berglund, U; Helleday, T; Stenmark, P; Carlsson, J Fragment-Based Discovery and Optimization of Enzyme Inhibitors by Docking of Commercial Chemical Space. J Med Chem 60:8160-8169 (2017) [PubMed]  Article 
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:
BDBM50241664
Synonyms:
CHEMBL4104686
Type:
Small organic molecule
Emp. Form.:
C9H10N2O
Mol. Mass.:
162.1885
SMILES:
Cc1cc(C)c2oc(N)nc2c1
Structure:
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