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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 | MLS000586810 |
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Molecular formula | C22H27NO3S |
IUPAC name | 2-[(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide |
Molecular weight | 385.522 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 4.4 |
Synonyms | 2-[(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)sulfanyl]-N-(2-phenylethyl)ethanamide cid_15945446 AKOS001834257 2-[(6-methoxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl)thio]-N-(2-phenylethyl)acetamide 2-[(6-methoxy-2,2-dimethyl-chroman-4-yl)thio]-N-phenethyl-acetamide [ Show all ] |
Inchi Key | AFOTVSJJNDZGNM-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H27NO3S/c1-22(2)14-20(18-13-17(25-3)9-10-19(18)26-22)27-15-21(24)23-12-11-16-7-5-4-6-8-16/h4-10,13,20H,11-12,14-15H2,1-3H3,(H,23,24) |
PubChem CID | 15945446 |
ChEMBL | CHEMBL1556845 |
IUPHAR | N/A |
BindingDB | 96653 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 1037.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
IC50 | 2309.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
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