Reaction Details Report a problem with these data
Target
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
Ligand
BDBM50031827
Substrate
n/a
Meas. Tech.
ChEMBL_1437893 (CHEMBL3384857)
Ki
68100±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 3
Synonyms:
Alkaline phosphodiesterase I | CD_antigen=CD203c | E-NPP 3 | ENPP3 | ENPP3_HUMAN | Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 | NPPase | Nucleotide pyrophosphatase | PD-Ibeta | PDNP3 | Phosphodiesterase I beta | Phosphodiesterase I/nucleotide pyrophosphatase 3
Type:
PROTEIN
Mol. Mass.:
100124.29
Organism:
Homo sapiens (Human)
Description:
ChEMBL_101240
Residue:
875
Sequence:
MESTLTLATEQPVKKNTLKKYKIACIVLLALLVIMSLGLGLGLGLRKLEKQGSCRKKCFDASFRGLENCRCDVACKDRGDCCWDFEDTCVESTRIWMCNKFRCGETRLEASLCSCSDDCLQRKDCCADYKSVCQGETSWLEENCDTAQQSQCPEGFDLPPVILFSMDGFRAEYLYTWDTLMPNINKLKTCGIHSKYMRAMYPTKTFPNHYTIVTGLYPESHGIIDNNMYDVNLNKNFSLSSKEQNNPAWWHGQPMWLTAMYQGLKAATYFWPGSEVAINGSFPSIYMPYNGSVPFEERISTLLKWLDLPKAERPRFYTMYFEEPDSSGHAGGPVSARVIKALQVVDHAFGMLMEGLKQRNLHNCVNIILLADHGMDQTYCNKMEYMTDYFPRINFFYMYEGPAPRIRAHNIPHDFFSFNSEEIVRNLSCRKPDQHFKPYLTPDLPKRLHYAKNVRIDKVHLFVDQQWLAVRSKSNTNCGGGNHGYNNEFRSMEAIFLAHGPSFKEKTEVEPFENIEVYNLMCDLLRIQPAPNNGTHGSLNHLLKVPFYEPSHAEEVSKFSVCGFANPLPTESLDCFCPHLQNSTQLEQVNQMLNLTQEEITATVKVNLPFGRPRVLQKNVDHCLLYHREYVSGFGKAMRMPMWSSYTVPQLGDTSPLPPTVPDCLRADVRVPPSESQKCSFYLADKNITHGFLYPPASNRTSDSQYDALITSNLVPMYEEFRKMWDYFHSVLLIKHATERNGVNVVSGPIFDYNYDGHFDAPDEITKHLANTDVPIPTHYFVVLTSCKNKSHTPENCPGWLDVLPFIIPHRPTNVESCPEGKPEALWVEERFTAHIARVRDVELLTGLDFYQDKVQPVSEILQLKTYLPTFETTI
  
Inhibitor
Name:
BDBM50031827
Synonyms:
CHEMBL3360884
Type:
Small organic molecule
Emp. Form.:
C17H18N4O4S
Mol. Mass.:
374.414
SMILES:
COc1ccc2nc(SCC(=O)Nc3ccc(OC)c(OC)c3)[nH]c2n1
Structure:
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