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Target
Oxidized purine nucleoside triphosphate hydrolase
Ligand
BDBM50511441
Substrate
n/a
Meas. Tech.
ChEMBL_1844828 (CHEMBL4345255)
IC50
1.1±n/a nM
Citation
 Farand, J; Kropf, JE; Blomgren, P; Xu, J; Schmitt, AC; Newby, ZE; Wang, T; Murakami, E; Barauskas, O; Sudhamsu, J; Feng, JY; Niedziela-Majka, A; Schultz, BE; Schwartz, K; Viatchenko-Karpinski, S; Kornyeyev, D; Kashishian, A; Fan, P; Chen, X; Lansdon, EB; Ports, MO; Currie, KS; Watkins, WJ; Notte, GT Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation. ACS Med Chem Lett 11:358-364 (2020) [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:
BDBM50511441
Synonyms:
CHEMBL4464305
Type:
Small organic molecule
Emp. Form.:
C14H17N5
Mol. Mass.:
255.3183
SMILES:
CNc1cc(nc(N)n1)N1CCCc2ccccc12
Structure:
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