| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 |
|---|
| Ligand | BDBM369940 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_1979950 (CHEMBL4613085) |
|---|
| IC50 | 14±n/a nM |
|---|
| Citation |  Cuozzo, JW; Clark, MA; Keefe, AD; Kohlmann, A; Mulvihill, M; Ni, H; Renzetti, LM; Resnicow, DI; Ruebsam, F; Sigel, EA; Thomson, HA; Wang, C; Xie, Z; Zhang, Y Novel Autotaxin Inhibitor for the Treatment of Idiopathic Pulmonary Fibrosis: A Clinical Candidate Discovered Using DNA-Encoded Chemistry. J Med Chem63:7840-7856 (2020) [PubMed] Article |
|---|
| 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
|
|
|
|---|
| BDBM369940 |
|---|
| n/a |
|---|
| Name | BDBM369940 |
|---|
| Synonyms: | (R)—N-(1-(1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-3-methyl-1-oxobutan-2-yl)-2-fluoro-5-(trifluoromethyl)benzamide | US10233182, Example 52 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C28H28F4N6O4 |
|---|
| Mol. Mass. | 588.5533 |
|---|
| SMILES | CC(C)[C@@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc2[nH]ncc2c1 |r| |
|---|
| Structure | 
|
|---|
Search and Browse
