Reaction Details Report a problem with these data
Target
Oxidized purine nucleoside triphosphate hydrolase
Ligand
BDBM50152142
Substrate
n/a
Meas. Tech.
ChEMBL_1565467 (CHEMBL3782136)
IC50
112±n/a nM
Citation
 Petrocchi, A; Leo, E; Reyna, NJ; Hamilton, MM; Shi, X; Parker, CA; Mseeh, F; Bardenhagen, JP; Leonard, P; Cross, JB; Huang, S; Jiang, Y; Cardozo, M; Draetta, G; Marszalek, JR; Toniatti, C; Jones, P; Lewis, RT Identification of potent and selective MTH1 inhibitors. Bioorg Med Chem Lett 26:1503-7 (2016) [PubMed]  Article 
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:
BDBM50152142
Synonyms:
CHEMBL3781493
Type:
Small organic molecule
Emp. Form.:
C10H17N3O
Mol. Mass.:
195.2615
SMILES:
Cc1cc(OCC(C)(C)C)nc(N)n1
Structure:
Search PDB for entries with ligand similarity: