Reaction Details Report a problem with these data
Target
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
Ligand
BDBM450554
Substrate
n/a
Meas. Tech.
Human ATX Enzyme Inhibition Assay
IC50
3.00±n/a nM
Citation
 Hert, J; Hunziker, D; Kuratli, C; Martin, RE; Mattei, P; Satz, AL Bicyclic quinazolinone derivatives US Patent  US10676446 Publication Date 6/9/2020 
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:
BDBM450554
Synonyms:
N-[(3-Chloro-4- cyanophenyl)methyl]-N- methyl-2-(4-oxo-6- piperidin-4-ylquinazolin- 3-yl)acetamide (intermediate A-9) and 3- fluorocyclobutane carboxylic acid ([CAS RN 122665-96-7]) | US10676446, Example 138
Type:
Small organic molecule
Emp. Form.:
C29H29ClFN5O3
Mol. Mass.:
550.024
SMILES:
CN(Cc1ccc(C#N)c(Cl)c1)C(=O)Cn1cnc2ccc(cc2c1=O)C1CCN(CC1)C(=O)C1CC(F)C1 |(5.61,1.15,;5.61,-.38,;6.94,-1.15,;8.28,-.38,;8.28,1.15,;9.61,1.93,;11.07,1.22,;12.41,1.98,;13.75,2.75,;10.95,-.38,;12.28,-1.15,;9.61,-1.15,;4.28,-1.15,;4.28,-2.69,;2.94,-.38,;1.61,-1.15,;1.61,-2.69,;.28,-3.47,;-1.06,-2.69,;-2.39,-3.47,;-3.72,-2.69,;-3.72,-1.15,;-2.39,-.38,;-1.06,-1.15,;.28,-.38,;.28,1.15,;-5.06,-.38,;-6.39,-1.15,;-7.73,-.38,;-7.73,1.15,;-6.39,1.93,;-5.06,1.15,;-9.06,1.93,;-9.06,3.47,;-10.39,1.15,;-11.88,1.55,;-12.28,.07,;-13.61,-.7,;-10.79,-.33,)|
Structure:
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