Reaction Details Report a problem with these data
Target
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
Ligand
BDBM450474
Substrate
n/a
Meas. Tech.
Human ATX Enzyme Inhibition Assay
IC50
9.00±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:
BDBM450474
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-methoxycyclo- butane-1-carboxylic acid ([CAS RN 480450-03-1]) | US10676446, Example 78
Type:
Small organic molecule
Emp. Form.:
C28H31Cl2N5O4
Mol. Mass.:
572.483
SMILES:
COC1CC(C1)C(=O)N1CCN(CC1)c1ccc2ncn(CC(=O)N(C)Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1 |(-13.61,.07,;-12.28,-.7,;-10.95,.07,;-10.55,1.55,;-9.06,1.15,;-9.46,-.33,;-7.73,1.93,;-7.73,3.47,;-6.39,1.15,;-6.39,-.38,;-5.06,-1.15,;-3.72,-.38,;-3.72,1.15,;-5.06,1.93,;-2.39,-1.15,;-2.39,-2.69,;-1.06,-3.47,;.28,-2.69,;1.61,-3.47,;2.94,-2.69,;2.94,-1.15,;4.28,-.38,;5.61,-1.15,;5.61,-2.69,;6.94,-.38,;6.94,1.15,;8.28,-1.15,;9.61,-.38,;9.61,1.15,;10.95,1.93,;12.28,1.15,;13.61,1.93,;12.28,-.38,;13.61,-1.15,;10.95,-1.15,;1.61,-.38,;1.61,1.15,;.28,-1.15,;-1.06,-.38,)|
Structure:
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