Reaction Details |
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Target | Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 |
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Ligand | BDBM50605405 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2251327 (CHEMBL5165537) |
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EC50 | 100±n/a nM |
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Citation | Clark, JM; Salgado-Polo, F; Macdonald, SJF; Barrett, TN; Perrakis, A; Jamieson, C Structure-Based Design of a Novel Class of Autotaxin Inhibitors Based on Endogenous Allosteric Modulators. J Med Chem65:6338-6351 (2022) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 |
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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
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BDBM50605405 |
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n/a |
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Name | BDBM50605405 |
Synonyms: | CHEMBL5196449 |
Type | Small organic molecule |
Emp. Form. | C35H52BF3KNO4 |
Mol. Mass. | 657.696 |
SMILES | [K;v0+].[H][C@@]1([#6]-[#6][C@@]2([H])[#6]3-[#6@@H](-[#8])-[#6][C@]4([H])[#6]-[#6@H](-[#8])-[#6]-[#6][C@]4([#6])[C@@]3([H])[#6]-[#6][C@]12[#6])[#6@H](-[#6])-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#8]-c1ccc(cc1)[B-](F)(F)F |r| |
Structure |
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