BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 1
LigandBDBM624501
Substrate/Competitorn/a
Meas. Tech.Inhibition of ENPP1 Hydrolysis of 2′,3′-cGAMP
IC50<10±n/a nM
Citation Cogan, DABettigole, SVan Berkom, LNieczypor, PSu, MFolmer, R Imino sulfanone inhibitors of ENPP1 US Patent US11780849 Publication Date 10/10/2023
More Info.:Get all data from this article,  Assay Method
 
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
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:
MERDGCAGGGSRGGEGGRAPREGPAGNGRDRGRSHAAEAPGDPQAAASLLAPMDVGEEPL
EKAARARTAKDPNTYKVLSLVLSVCVLTTILGCIFGLKPSCAKEVKSCKGRCFERTFGNC
RCDAACVELGNCCLDYQETCIEPEHIWTCNKFRCGEKRLTRSLCACSDDCKDKGDCCINY
SSVCQGEKSWVEEPCESINEPQCPAGFETPPTLLFSLDGFRAEYLHTWGGLLPVISKLKK
CGTYTKNMRPVYPTKTFPNHYSIVTGLYPESHGIIDNKMYDPKMNASFSLKSKEKFNPEW
YKGEPIWVTAKYQGLKSGTFFWPGSDVEINGIFPDIYKMYNGSVPFEERILAVLQWLQLP
KDERPHFYTLYLEEPDSSGHSYGPVSSEVIKALQRVDGMVGMLMDGLKELNLHRCLNLIL
ISDHGMEQGSCKKYIYLNKYLGDVKNIKVIYGPAARLRPSDVPDKYYSFNYEGIARNLSC
REPNQHFKPYLKHFLPKRLHFAKSDRIEPLTFYLDPQWQLALNPSERKYCGSGFHGSDNV
FSNMQALFVGYGPGFKHGIEADTFENIEVYNLMCDLLNLTPAPNNGTHGSLNHLLKNPVY
TPKHPKEVHPLVQCPFTRNPRDNLGCSCNPSILPIEDFQTQFNLTVAEEKIIKHETLPYG
RPRVLQKENTICLLSQHQFMSGYSQDILMPLWTSYTVDRNDSFSTEDFSNCLYQDFRIPL
SPVHKCSFYKNNTKVSYGFLSPPQLNKNSSGIYSEALLTTNIVPMYQSFQVIWRYFHDTL
LRKYAEERNGVNVVSGPVFDFDYDGRCDSLENLRQKRRVIRNQEILIPTHFFIVLTSCKD
TSQTPLHCENLDTLAFILPHRTDNSESCVHGKHDSSWVEELLMLHRARITDVEHITGLSF
YQQRKEPVSDILKLKTHLPTFSQED
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM624501
n/a
NameBDBM624501
Synonyms:US11780849, Compound 54b
TypeSmall organic molecule
Emp. Form.C19H27N5O3S
Mol. Mass.405.514
SMILESCOc1cc2ncnc(N3CCC4(CCN(C4)[S@](C)(=N)=O)CC3)c2cc1OC |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: