Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2
LigandBDBM369919
Substrate/Competitorn/a
Meas. Tech.Autotaxin LPC Cascade Assay
IC50<500±n/a nM
Citation Babiss, LClark, MKeefe, ADMulvihill, MJNi, HRenzetti, LRuebsam, FWang, CXie, ZZhang, Y Substituted spirocyclic inhibitors of autotaxin US Patent US10233182 Publication Date 3/19/2019
More Info.:Get all data from this article,  Assay Method
 
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
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:
MARRSSFQSCQIISLFTFAVGVNICLGFTAHRIKRAEGWEEGPPTVLSDSPWTNISGSCK
GRCFELQEAGPPDCRCDNLCKSYTSCCHDFDELCLKTARGWECTKDRCGEVRNEENACHC
SEDCLARGDCCTNYQVVCKGESHWVDDDCEEIKAAECPAGFVRPPLIIFSVDGFRASYMK
KGSKVMPNIEKLRSCGTHSPYMRPVYPTKTFPNLYTLATGLYPESHGIVGNSMYDPVFDA
TFHLRGREKFNHRWWGGQPLWITATKQGVKAGTFFWSVVIPHERRILTILQWLTLPDHER
PSVYAFYSEQPDFSGHKYGPFGPEMTNPLREIDKIVGQLMDGLKQLKLHRCVNVIFVGDH
GMEDVTCDRTEFLSNYLTNVDDITLVPGTLGRIRSKFSNNAKYDPKAIIANLTCKKPDQH
FKPYLKQHLPKRLHYANNRRIEDIHLLVERRWHVARKPLDVYKKPSGKCFFQGDHGFDNK
VNSMQTVFVGYGSTFKYKTKVPPFENIELYNVMCDLLGLKPAPNNGTHGSLNHLLRTNTF
RPTMPEEVTRPNYPGIMYLQSDFDLGCTCDDKVEPKNKLDELNKRLHTKGSTEERHLLYG
RPAVLYRTRYDILYHTDFESGYSEIFLMPLWTSYTVSKQAEVSSVPDHLTSCVRPDVRVS
PSFSQNCLAYKNDKQMSYGFLFPPYLSSSPEAKYDAFLVTNMVPMYPAFKRVWNYFQRVL
VKKYASERNGVNVISGPIFDYDYDGLHDTEDKIKQYVEGSSIPVPTHYYSIITSCLDFTQ
PADKCDGPLSVSSFILPHRPDNEESCNSSEDESKWVEELMKMHTARVRDIEHLTSLDFFR
KTSRSYPEILTLKTYLHTYESEI
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM369919
n/a
NameBDBM369919
Synonyms:(R)-2-Fluoro-N-(3-methyl-1-(3-methyl-2,4-dioxo-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl)-5-(trifluoromethyl)benzamide | US10233182, Example 20
TypeSmall organic molecule
Emp. Form.C28H28F4N6O4
Mol. Mass.588.5533
SMILESCC(C)[C@@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1cnc2[nH]ccc2c1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: