Reaction Details Report a problem with these data
Target
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
Ligand
BDBM50031828
Substrate
n/a
Meas. Tech.
ChEMBL_1437891 (CHEMBL3384855)
Ki
10800±n/a nM
Citation
 Chang, L; Lee, SY; Leonczak, P; Rozenski, J; De Jonghe, S; Hanck, T; Müller, CE; Herdewijn, P Imidazopyridine- and purine-thioacetamide derivatives: potent inhibitors of nucleotide pyrophosphatase/phosphodiesterase 1 (NPP1). J Med Chem 57:10080-100 (2014) [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:
BDBM50031828
Synonyms:
CHEMBL3360883
Type:
Small organic molecule
Emp. Form.:
C16H15BrN4O3S
Mol. Mass.:
423.284
SMILES:
COc1ccc(NC(=O)CSc2nc3cc(Br)cnc3[nH]2)cc1OC
Structure:
Search PDB for entries with ligand similarity: