Reaction Details Report a problem with these data
Target
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
Ligand
BDBM382148
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:
BDBM382148
Synonyms:
2-((5-((trans-4-(tert-butyl)cyclohexyl)oxy)naphthalen-2-yl)methyl)octahydrocyclopenta[c]pyrrole-5-carboxylic acid | US10273234, Example 5
Type:
Small organic molecule
Emp. Form.:
C29H39NO3
Mol. Mass.:
449.6249
SMILES:
CC(C)(C)[C@H]1CC[C@@H](CC1)Oc1cccc2cc(CN3CC4CC(CC4C3)C(O)=O)ccc12 |wU:7.10,wD:4.3,(8.72,4.62,;8.72,3.08,;10.05,3.85,;10.05,2.31,;7.39,2.31,;6.05,3.08,;4.72,2.31,;4.72,.77,;6.05,,;7.39,.77,;3.39,,;3.39,-1.54,;4.72,-2.31,;4.72,-3.85,;3.39,-4.62,;2.05,-3.85,;.72,-4.62,;-.62,-3.85,;-1.95,-4.62,;-3.28,-3.85,;-4.69,-4.48,;-5.72,-3.33,;-7.23,-3.01,;-7.39,-1.48,;-5.98,-.85,;-4.95,-2,;-3.44,-2.32,;-8.72,-.71,;-10.05,-1.48,;-8.72,.83,;-.62,-2.31,;.72,-1.54,;2.05,-2.31,)|
Structure:
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