Reaction Details Report a problem with these data
Target
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
Ligand
BDBM50453242
Substrate
n/a
Meas. Tech.
ChEMBL_1749378 (CHEMBL4183888)
Ki
1110±n/a nM
Citation
 Zelikman, V; Pelletier, J; Simhaev, L; Sela, A; Gendron, FP; Arguin, G; Senderowitz, H; Sévigny, J; Fischer, B Highly Selective and Potent Ectonucleotide Pyrophosphatase-1 (NPP1) Inhibitors Based on Uridine 5'-P J Med Chem 61:3939-3951 (2018) [PubMed]  Article 
Target
Name:
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
Synonyms:
ENPP1 | ENPP1_HUMAN | M6S1 | NPPS | PC1 | PDNP1
Type:
PROTEIN
Mol. Mass.:
104934.43
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1448940
Residue:
925
Sequence:
MERDGCAGGGSRGGEGGRAPREGPAGNGRDRGRSHAAEAPGDPQAAASLLAPMDVGEEPLEKAARARTAKDPNTYKVLSLVLSVCVLTTILGCIFGLKPSCAKEVKSCKGRCFERTFGNCRCDAACVELGNCCLDYQETCIEPEHIWTCNKFRCGEKRLTRSLCACSDDCKDKGDCCINYSSVCQGEKSWVEEPCESINEPQCPAGFETPPTLLFSLDGFRAEYLHTWGGLLPVISKLKKCGTYTKNMRPVYPTKTFPNHYSIVTGLYPESHGIIDNKMYDPKMNASFSLKSKEKFNPEWYKGEPIWVTAKYQGLKSGTFFWPGSDVEINGIFPDIYKMYNGSVPFEERILAVLQWLQLPKDERPHFYTLYLEEPDSSGHSYGPVSSEVIKALQRVDGMVGMLMDGLKELNLHRCLNLILISDHGMEQGSCKKYIYLNKYLGDVKNIKVIYGPAARLRPSDVPDKYYSFNYEGIARNLSCREPNQHFKPYLKHFLPKRLHFAKSDRIEPLTFYLDPQWQLALNPSERKYCGSGFHGSDNVFSNMQALFVGYGPGFKHGIEADTFENIEVYNLMCDLLNLTPAPNNGTHGSLNHLLKNPVYTPKHPKEVHPLVQCPFTRNPRDNLGCSCNPSILPIEDFQTQFNLTVAEEKIIKHETLPYGRPRVLQKENTICLLSQHQFMSGYSQDILMPLWTSYTVDRNDSFSTEDFSNCLYQDFRIPLSPVHKCSFYKNNTKVSYGFLSPPQLNKNSSGIYSEALLTTNIVPMYQSFQVIWRYFHDTLLRKYAEERNGVNVVSGPVFDFDYDGRCDSLENLRQKRRVIRNQEILIPTHFFIVLTSCKDTSQTPLHCENLDTLAFILPHRTDNSESCVHGKHDSSWVEELLMLHRARITDVEHITGLSFYQQRKEPVSDILKLKTHLPTFSQED
  
Inhibitor
Name:
BDBM50453242
Synonyms:
CHEMBL4213959
Type:
Small organic molecule
Emp. Form.:
C10H17N2O12P3S2
Mol. Mass.:
514.299
SMILES:
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(S)(=S)OP(O)(=O)CP(O)(O)=O)n1ccc(=O)[nH]c1=O |r|
Structure:
Search PDB for entries with ligand similarity: