Target
Oxidized purine nucleoside triphosphate hydrolase
Ligand
BDBM50255618
Substrate
n/a
Meas. Tech.
ChEBML_1687437
IC50
20±n/a nM
Citation
 Rahm, FViklund, JTrésaugues, LEllermann, MGiese, AEricsson, UForsblom, RGinman, TGünther, JHallberg, KLindström, JPersson, LBSilvander, CTalagas, ADíaz-Sáez, LFedorov, OHuber, KVMPanagakou, ISiejka, PGorjánácz, MBauser, MAndersson, 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:
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:
BDBM50255618
Synonyms:
CHEMBL4104130
Type:
Small organic molecule
Emp. Form.:
C16H14ClN3O
Mol. Mass.:
299.755
SMILES:
CCNC(=O)c1cc2c(ccnc2[nH]1)-c1cccc(Cl)c1
Structure:
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