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Name | Trace amine-associated receptor 1 |
---|---|
Species | Homo sapiens (Human) |
Gene | TAAR1 |
Synonym | trace amine receptor 1 TAR1 TaR-1 TA1 receptor TRAR1 |
Disease | N/A |
Length | 339 |
Amino acid sequence | MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS |
UniProt | Q96RJ0 |
Protein Data Bank | N/A |
GPCR-HGmod model | Q96RJ0 |
3D structure model | This predicted structure model is from GPCR-EXP Q96RJ0. |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL5857 |
IUPHAR | 364 |
DrugBank | BE0001044 |
Name | MLS001171581 |
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Molecular formula | C20H25NO5 |
IUPAC name | 1-[4-[2-hydroxy-3-[(2-hydroxy-2-phenylethyl)amino]propoxy]-3-methoxyphenyl]ethanone |
Molecular weight | 359.422 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 1.3 |
Synonyms | 1-[4-[2-hydroxy-3-[(2-hydroxy-2-phenylethyl)amino]propoxy]-3-methoxyphenyl]ethanone MCULE-8731393091 AC1NI63K cid_16248356 1-[4-[2-hydroxy-3-[(2-hydroxy-2-phenylethyl)amino]propoxy]-3-methoxyphenyl]ethanone;oxalic acid [ Show all ] |
Inchi Key | AFDOVFBOEGXHJE-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H25NO5/c1-14(22)16-8-9-19(20(10-16)25-2)26-13-17(23)11-21-12-18(24)15-6-4-3-5-7-15/h3-10,17-18,21,23-24H,11-13H2,1-2H3 |
PubChem CID | 4851071 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 96778 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 2126.0 nM | N/A | BindingDB |
IC50 | 12279.0 nM | N/A | BindingDB |
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