Reaction Details Report a problem with these data
Target
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
Ligand
BDBM382156
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:
BDBM382156
Synonyms:
1-((5-((trans-4-ethylcyclohexyl)oxy)naphthalen-2-yl)methyl)azetidine-3-carboxylic acid | US10273234, Example 19
Type:
Small organic molecule
Emp. Form.:
C23H29NO3
Mol. Mass.:
367.4813
SMILES:
CC[C@H]1CC[C@@H](CC1)Oc1cccc2cc(CN3CC(C3)C(O)=O)ccc12 |wU:5.8,wD:2.1,(8.95,3.08,;7.61,3.85,;6.28,3.08,;4.94,3.85,;3.61,3.08,;3.61,1.54,;4.94,.77,;6.28,1.54,;2.28,.77,;2.28,-.77,;3.61,-1.54,;3.61,-3.08,;2.28,-3.85,;.94,-3.08,;-.39,-3.85,;-1.72,-3.08,;-3.06,-3.85,;-4.39,-3.08,;-5.88,-3.48,;-6.28,-1.99,;-4.79,-1.59,;-7.61,-1.22,;-8.95,-1.99,;-7.61,.32,;-1.72,-1.54,;-.39,-.77,;.94,-1.54,)|
Structure:
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