Reaction Details Report a problem with these data
Target
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
Ligand
BDBM595479
Substrate
n/a
Meas. Tech.
ENPP1 Assay
IC50
9.80±n/a nM
Citation
 Kasibhatla, SR; Kalakuntla, RK; Weston, A; Thode, T; Sharma, S; Kaadige, MR Inhibitors of ectonucleotide pyrophosphatase/phosphodiesterase 1 (ENPP1) and methods of use thereof US Patent  US11591313 Publication Date 2/28/2023 
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:
BDBM595479
Synonyms:
US11591313, Compound 046
Type:
Small organic molecule
Emp. Form.:
C23H25N5O6S
Mol. Mass.:
499.54
SMILES:
COc1cc2ncc(C#N)c(-c3ccc(CNS(=O)(=O)NC(=O)OC(C)(C)C)nc3)c2cc1OC
Structure:
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