Reaction Details Report a problem with these data
Target
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
Ligand
BDBM450467
Substrate
n/a
Meas. Tech.
Human ATX Enzyme Inhibition Assay
IC50
7.00±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:
BDBM450467
Synonyms:
9H-Fluoren-9-ylmethyl 4-[3-[2-[(3,4- dichlorophenyl)methyl- methylamino]-2- oxoethyl]-4- oxoquinazolin-6- yl]piperazine-1- carboxylate (intermediate A-6) and 3-fluorocyclobutane- 1-carboxylate acid ([CAS RN 122665-96- 7]) | US10676446, Example 74
Type:
Small organic molecule
Emp. Form.:
C27H28Cl2FN5O3
Mol. Mass.:
560.447
SMILES:
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1cnc2ccc(cc2c1=O)N1CCN(CC1)C(=O)C1CC(F)C1 |(6.28,1.15,;6.28,-.38,;7.61,-1.15,;8.95,-.38,;8.95,1.15,;10.28,1.93,;11.61,1.15,;12.95,1.93,;11.61,-.38,;12.95,-1.15,;10.28,-1.15,;4.94,-1.15,;4.94,-2.69,;3.61,-.38,;2.28,-1.15,;2.28,-2.69,;.94,-3.47,;-.39,-2.69,;-1.72,-3.47,;-3.06,-2.69,;-3.06,-1.15,;-1.72,-.38,;-.39,-1.15,;.94,-.38,;.94,1.15,;-4.39,-.38,;-5.73,-1.15,;-7.06,-.38,;-7.06,1.15,;-5.73,1.93,;-4.39,1.15,;-8.39,1.93,;-8.39,3.47,;-9.73,1.15,;-11.21,1.55,;-11.61,.07,;-12.95,-.7,;-10.12,-.33,)|
Structure:
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