Reaction Details Report a problem with these data
Target
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
Ligand
BDBM155300
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
5.00±n/a nM
Citation
 Ohata, A; Nakatani, S; Sugiyama, T; Morimoto, T Tetrahydrocarboline derivative US Patent  US9636330 Publication Date 5/2/2017 
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:
Human
Description:
Q13822
Residue:
863
Sequence:
MARRSSFQSCQIISLFTFAVGVNICLGFTAHRIKRAEGWEEGPPTVLSDSPWTNISGSCKGRCFELQEAGPPDCRCDNLCKSYTSCCHDFDELCLKTARGWECTKDRCGEVRNEENACHCSEDCLARGDCCTNYQVVCKGESHWVDDDCEEIKAAECPAGFVRPPLIIFSVDGFRASYMKKGSKVMPNIEKLRSCGTHSPYMRPVYPTKTFPNLYTLATGLYPESHGIVGNSMYDPVFDATFHLRGREKFNHRWWGGQPLWITATKQGVKAGTFFWSVVIPHERRILTILQWLTLPDHERPSVYAFYSEQPDFSGHKYGPFGPEMTNPLREIDKIVGQLMDGLKQLKLHRCVNVIFVGDHGMEDVTCDRTEFLSNYLTNVDDITLVPGTLGRIRSKFSNNAKYDPKAIIANLTCKKPDQHFKPYLKQHLPKRLHYANNRRIEDIHLLVERRWHVARKPLDVYKKPSGKCFFQGDHGFDNKVNSMQTVFVGYGSTFKYKTKVPPFENIELYNVMCDLLGLKPAPNNGTHGSLNHLLRTNTFRPTMPEEVTRPNYPGIMYLQSDFDLGCTCDDKVEPKNKLDELNKRLHTKGSTEERHLLYGRPAVLYRTRYDILYHTDFESGYSEIFLMPLWTSYTVSKQAEVSSVPDHLTSCVRPDVRVSPSFSQNCLAYKNDKQMSYGFLFPPYLSSSPEAKYDAFLVTNMVPMYPAFKRVWNYFQRVLVKKYASERNGVNVISGPIFDYDYDGLHDTEDKIKQYVEGSSIPVPTHYYSIITSCLDFTQPADKCDGPLSVSSFILPHRPDNEESCNSSEDESKWVEELMKMHTARVRDIEHLTSLDFFRKTSRSYPEILTLKTYLHTYESEI
  
Inhibitor
Name:
BDBM155300
Synonyms:
US9006246, 31(24) | US9636330, 31(24)
Type:
Small organic molecule
Emp. Form.:
C26H27ClFN3O3
Mol. Mass.:
483.962
SMILES:
OC(=O)[C@H]1CC[C@H](CC(=O)N2CCc3c(C2)n(Cc2ccc(Cl)cc2F)c2ncccc32)CC1 |r,wU:6.6,wD:3.2,(8.62,-3.95,;8.62,-2.41,;9.96,-1.64,;7.29,-1.64,;7.24,-.07,;5.91,.7,;4.57,-.07,;3.24,.7,;1.91,-.07,;1.91,-1.61,;.57,.7,;.57,2.24,;-.77,3,;-2.1,2.23,;-2.1,.69,;-.76,-.08,;-3.56,.21,;-3.96,-1.28,;-5.44,-1.68,;-6.53,-.59,;-8.02,-.99,;-8.42,-2.48,;-9.91,-2.88,;-7.33,-3.57,;-5.84,-3.17,;-4.75,-4.26,;-4.47,1.45,;-6,1.6,;-6.63,3.01,;-5.73,4.26,;-4.2,4.1,;-3.57,2.7,;4.57,-1.61,;5.91,-2.38,)|
Structure:
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