Reaction Details Report a problem with these data
Target
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
Ligand
BDBM382155
Substrate
n/a
Meas. Tech.
ATX biochemical assay
IC50
2750±n/a nM
Citation
 Guckian, K; Kumaravel, G; Ma, B; Sun, L; Xin, Z; Zhang, L Compounds that are S1P modulating agents and/or ATX modulating agents US Patent  US10273234 Publication Date 4/30/2019 
Target
Name:
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
Synonyms:
ATX | Autotaxin | Autotaxin (ATX) | E-NPP 2 | ENPP2 | ENPP2_HUMAN | Ectonucleotide Pyrophosphatase/Phosphodiesterase 2 (ENPP2) | Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (E-NPP2) | Extracellular lysophospholipase D | LysoPLD | PDNP2
Type:
Enzyme
Mol. Mass.:
99007.13
Organism:
Homo sapiens (Human)
Description:
Q13822
Residue:
863
Sequence:
MARRSSFQSCQIISLFTFAVGVNICLGFTAHRIKRAEGWEEGPPTVLSDSPWTNISGSCKGRCFELQEAGPPDCRCDNLCKSYTSCCHDFDELCLKTARGWECTKDRCGEVRNEENACHCSEDCLARGDCCTNYQVVCKGESHWVDDDCEEIKAAECPAGFVRPPLIIFSVDGFRASYMKKGSKVMPNIEKLRSCGTHSPYMRPVYPTKTFPNLYTLATGLYPESHGIVGNSMYDPVFDATFHLRGREKFNHRWWGGQPLWITATKQGVKAGTFFWSVVIPHERRILTILQWLTLPDHERPSVYAFYSEQPDFSGHKYGPFGPEMTNPLREIDKIVGQLMDGLKQLKLHRCVNVIFVGDHGMEDVTCDRTEFLSNYLTNVDDITLVPGTLGRIRSKFSNNAKYDPKAIIANLTCKKPDQHFKPYLKQHLPKRLHYANNRRIEDIHLLVERRWHVARKPLDVYKKPSGKCFFQGDHGFDNKVNSMQTVFVGYGSTFKYKTKVPPFENIELYNVMCDLLGLKPAPNNGTHGSLNHLLRTNTFRPTMPEEVTRPNYPGIMYLQSDFDLGCTCDDKVEPKNKLDELNKRLHTKGSTEERHLLYGRPAVLYRTRYDILYHTDFESGYSEIFLMPLWTSYTVSKQAEVSSVPDHLTSCVRPDVRVSPSFSQNCLAYKNDKQMSYGFLFPPYLSSSPEAKYDAFLVTNMVPMYPAFKRVWNYFQRVLVKKYASERNGVNVISGPIFDYDYDGLHDTEDKIKQYVEGSSIPVPTHYYSIITSCLDFTQPADKCDGPLSVSSFILPHRPDNEESCNSSEDESKWVEELMKMHTARVRDIEHLTSLDFFRKTSRSYPEILTLKTYLHTYESEI
  
Inhibitor
Name:
BDBM382155
Synonyms:
1-((5-((trans-4-methylcyclohexyl)oxy)naphthalen-2-yl)methyl)piperidine-4-carboxylic acid | US10273234, Example 15
Type:
Small organic molecule
Emp. Form.:
C24H31NO3
Mol. Mass.:
381.5078
SMILES:
C[C@H]1CC[C@@H](CC1)Oc1cccc2cc(CN3CCC(CC3)C(O)=O)ccc12 |wU:4.7,wD:1.0,(8.67,3.85,;7.34,3.08,;6,3.85,;4.67,3.08,;4.67,1.54,;6,.77,;7.34,1.54,;3.33,.77,;3.33,-.77,;4.67,-1.54,;4.67,-3.08,;3.33,-3.85,;2,-3.08,;.67,-3.85,;-.67,-3.08,;-2,-3.85,;-3.33,-3.08,;-4.67,-3.85,;-6,-3.08,;-6,-1.54,;-4.67,-.77,;-3.33,-1.54,;-7.34,-.77,;-8.67,-1.54,;-7.34,.77,;-.67,-1.54,;.67,-.77,;2,-1.54,)|
Structure:
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