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Name | Trace amine-associated receptor 1 |
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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 | MLS001140057 |
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Molecular formula | C21H21NO6 |
IUPAC name | [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate |
Molecular weight | 383.4 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 3.7 |
Synonyms | cid_24686216 [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate ZINC23074466 5-methoxy-3-methyl-2-benzofurancarboxylic acid [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] ester HMS3008P24 [ Show all ] |
Inchi Key | CRYCPJOEPBZGDD-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H21NO6/c1-13-16-10-15(25-2)8-9-18(16)28-20(13)21(24)27-12-19(23)22-11-14-6-4-5-7-17(14)26-3/h4-10H,11-12H2,1-3H3,(H,22,23) |
PubChem CID | 24686216 |
ChEMBL | CHEMBL1531065 |
IUPHAR | N/A |
BindingDB | 96923 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 7164.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
IC50 | 6653.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
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