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Target
Oxidized purine nucleoside triphosphate hydrolase
Ligand
BDBM50255615
Substrate
n/a
Meas. Tech.
ChEMBL_1687449 (CHEMBL4037928)
EC50
63±n/a nM
Citation
 Rahm, F; Viklund, J; Trésaugues, L; Ellermann, M; Giese, A; Ericsson, U; Forsblom, R; Ginman, T; Günther, J; Hallberg, K; Lindström, J; Persson, LB; Silvander, C; Talagas, A; Díaz-Sáez, L; Fedorov, O; Huber, KVM; Panagakou, I; Siejka, P; Gorjánácz, M; Bauser, M; Andersson, M Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design. J Med Chem 61:2533-2551 (2018) [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:
BDBM50255615
Synonyms:
CHEMBL4061204
Type:
Small organic molecule
Emp. Form.:
C17H17N3
Mol. Mass.:
263.337
SMILES:
C1CC(N(C1)c1ccnc2[nH]ccc12)c1ccccc1
Structure:
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