Reaction Details Report a problem with these data
Target
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
Ligand
BDBM382166
Substrate
n/a
Meas. Tech.
ATX biochemical assay
IC50
>5000±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:
BDBM382166
Synonyms:
1-((5-((trans-4-phenylcyclohexyl)oxy)naphthalen-2-yl)methyl)azetidine-3-carboxylic acid | US10273234, Example 18
Type:
Small organic molecule
Emp. Form.:
C27H29NO3
Mol. Mass.:
415.5241
SMILES:
OC(=O)C1CN(Cc2ccc3c(O[C@H]4CC[C@@H](CC4)c4ccccc4)cccc3c2)C1 |wU:13.12,wD:16.19,(-9.61,-3.15,;-8.28,-2.38,;-8.28,-.84,;-6.94,-3.15,;-6.55,-4.63,;-5.06,-4.23,;-3.72,-5,;-2.39,-4.23,;-2.39,-2.7,;-1.06,-1.93,;.28,-2.7,;1.61,-1.93,;1.61,-.38,;2.94,.38,;2.94,1.93,;4.28,2.7,;5.61,1.93,;5.61,.38,;4.28,-.38,;6.94,2.7,;6.94,4.23,;8.28,5,;9.61,4.23,;9.61,2.7,;8.28,1.93,;2.94,-2.7,;2.94,-4.23,;1.61,-5,;.28,-4.23,;-1.06,-5,;-5.46,-2.75,)|
Structure:
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