Target
Oxidized purine nucleoside triphosphate hydrolase
Ligand
BDBM50241453
Substrate
n/a
Meas. Tech.
ChEMBL_1839104 (CHEMBL4339319)
IC50
2000±n/a nM
Citation
 Yokoyama, TKitakami, RMizuguchi, M Discovery of a new class of MTH1 inhibitor by X-ray crystallographic screening. Eur J Med Chem 167:153-160 (2019) [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:
BDBM50241453
Synonyms:
1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9H-xanthen-9-one | CHEMBL260553 | gamma-mangostin
Type:
Small organic molecule
Emp. Form.:
C23H24O6
Mol. Mass.:
396.4331
SMILES:
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c1-[#8]
Structure:
Search PDB for entries with ligand similarity: