Reaction Details Report a problem with these data
Target
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
Ligand
BDBM364551
Substrate
n/a
Meas. Tech.
Inhibitory Activity Assay
IC50
3.80±n/a nM
Citation
 Ohata, A; Nakatani, S; Sugiyama, T; Morimoto, T Tetrahydrocarboline derivative US Patent  US9862721 Publication Date 1/9/2018 
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:
BDBM364551
Synonyms:
US9862721, 10(5)
Type:
Small organic molecule
Emp. Form.:
C25H27F3N4O3S
Mol. Mass.:
520.567
SMILES:
C[C@]1(CCC(CC(=O)N2CCc3c(C2)n(Cc2cnc(s2)C(F)(F)F)c2ncccc32)CC1)C(O)=O |r,wU:1.0,wD:1.37,(15.95,-.01,;14.45,.31,;13.42,-.83,;11.91,-.51,;11.44,.95,;9.93,1.27,;8.9,.13,;9.37,-1.34,;7.39,.45,;6.92,1.91,;5.41,2.23,;4.38,1.09,;4.86,-.37,;6.36,-.69,;3.61,-1.28,;3.61,-2.82,;2.28,-3.59,;.87,-2.96,;-.16,-4.11,;.61,-5.44,;2.12,-5.12,;-.02,-6.85,;-.64,-8.26,;-1.42,-6.22,;1.39,-7.47,;2.36,-.37,;.86,-.69,;-.17,.45,;.3,1.91,;1.81,2.23,;2.84,1.09,;12.47,2.1,;13.97,1.78,;14.92,-1.15,;13.89,-2.3,;16.43,-1.47,)|
Structure:
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