Reaction Details Report a problem with these data
Target
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
Ligand
BDBM382151
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:
BDBM382151
Synonyms:
1-((5-((trans-4-(trifluoromethyl)cyclohexyl)oxy)naphthalen-2-yl)methyl)piperidine-4-carboxylic acid | US10273234, Example 9
Type:
Small organic molecule
Emp. Form.:
C24H28F3NO3
Mol. Mass.:
435.4792
SMILES:
OC(=O)C1CCN(Cc2ccc3c(O[C@H]4CC[C@@H](CC4)C(F)(F)F)cccc3c2)CC1 |wU:14.13,wD:17.20,(-9.34,-2.31,;-8,-1.54,;-8,,;-6.67,-2.31,;-6.67,-3.85,;-5.33,-4.62,;-4,-3.85,;-2.67,-4.62,;-1.33,-3.85,;-1.33,-2.31,;,-1.54,;1.33,-2.31,;2.67,-1.54,;2.67,,;4,.77,;4,2.31,;5.33,3.08,;6.67,2.31,;6.67,.77,;5.33,,;8,3.08,;9.34,3.85,;8,4.62,;9.34,2.31,;4,-2.31,;4,-3.85,;2.67,-4.62,;1.33,-3.85,;,-4.62,;-4,-2.31,;-5.33,-1.54,)|
Structure:
Search PDB for entries with ligand similarity: