Reaction Details  Report a problem with these data
Target
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
Ligand
BDBM50504116
Substrate
n/a
Meas. Tech.
ChEMBL_1813607 (CHEMBL4313181)
IC50
710±n/a nM
Citation
 El-Gamal, MI; Ullah, S; Zaraei, SO; Jalil, S; Zaib, S; Zaher, DM; Omar, HA; Anbar, HS; Pelletier, J; Sévigny, J; Iqbal, J Synthesis, biological evaluation, and docking studies of new raloxifene sulfonate or sulfamate derivatives as inhibitors of nucleotide pyrophosphatase/phosphodiesterase. Eur J Med Chem 181:0 (2019) [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:
BDBM50504116
Synonyms:
CHEMBL4473374
Type:
Small organic molecule
Emp. Form.:
C48H51NO8S3
Mol. Mass.:
866.115
SMILES:
CC(C)(C)c1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)-c1sc2cc(OS(=O)(=O)c3ccc(cc3)C(C)(C)C)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Structure:
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