Reaction Details Report a problem with these data
Target
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
Ligand
BDBM50597626
Substrate
n/a
Meas. Tech.
ChEMBL_2223760 (CHEMBL5137273)
Ki
3340±n/a nM
Citation
 Lee, SY; Namasivayam, V; Boshta, NM; Perotti, A; Mirza, S; Bua, S; Supuran, CT; Müller, CE Discovery of potent nucleotide pyrophosphatase/phosphodiesterase3 (NPP3) inhibitors with ancillary carbonic anhydrase inhibition for cancer (immuno)therapy. RSC Med Chem 12:1187-1206 (2021) [PubMed] 
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:
BDBM50597626
Synonyms:
CHEMBL5179873
Type:
Small organic molecule
Emp. Form.:
C20H16ClN5O4S2
Mol. Mass.:
489.955
SMILES:
NS(=O)(=O)c1ccc(Nc2nnc(-c3ccc(Cl)c(c3)S(N)(=O)=O)c3ccccc23)cc1
Structure:
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