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Name | Trace amine-associated receptor 1 |
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Species | Rattus norvegicus (Rat) |
Gene | Taar1 |
Synonym | TA1 receptor TaR-1 TAR1 Trace amine receptor 1 TRAR1 |
Disease | N/A for non-human GPCRs |
Length | 332 |
Amino acid sequence | MHLCHNSANISHTNSNWSRDVRASLYSLISLIILTTLVGNLIVIISISHFKQLHTPTNWLLHSMAVVDFLLGCLVMPYSMVRTVEHCWYFGELFCKLHTSTDIMLSSASILHLAFISIDRYYAVCDPLRYKAKINLAAIFVMILISWSLPAVFAFGMIFLELNLEGVEELYHNQVFCLRGCFPFFSKVSGVLAFMTSFYIPGSVMLFVYYRIYFIAKGQARSINRANLQVGLEGESRAPQSKETKAAKTLGIMVGVFLLCWCPFFFCMVLDPFLGYVIPPTLNDTLNWFGYLNSAFNPMVYAFFYPWFRRALKMVLFGKIFQKDSSRSKLFL |
UniProt | Q923Y9 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL3833 |
IUPHAR | 364 |
DrugBank | N/A |
Name | SCHEMBL2024748 |
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Molecular formula | C19H20F3N3O3 |
IUPAC name | N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide |
Molecular weight | 395.382 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 2 |
XlogP | 2.1 |
Synonyms | US9452980, 316 CHEMBL3965665 BDBM250406 |
Inchi Key | ASOORYLEUXUFFI-INIZCTEOSA-N |
Inchi ID | InChI=1S/C19H20F3N3O3/c20-19(21,22)12-28-17-6-5-15(10-24-17)18(26)25-9-13-1-3-14(4-2-13)16-11-23-7-8-27-16/h1-6,10,16,23H,7-9,11-12H2,(H,25,26)/t16-/m0/s1 |
PubChem CID | 58315496 |
ChEMBL | CHEMBL3965665 |
IUPHAR | N/A |
BindingDB | 250406 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 12.1 nM | , None | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417