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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 | SMR000164019 |
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Molecular formula | C22H29NO3 |
IUPAC name | 2-[2-[2-(4-propoxyphenoxy)ethoxy]ethyl]-3,4-dihydro-1H-isoquinoline |
Molecular weight | 355.478 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 0 |
XlogP | 4.2 |
Synonyms | BDBM96617 REGID_for_CID_1825674 2-{2-[2-(4-propoxyphenoxy)ethoxy]ethyl}-1,2,3,4-tetrahydroisoquinoline cid_1825674 AJ-292/42546008 [ Show all ] |
Inchi Key | ABEGEZWDEVDBPF-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H29NO3/c1-2-14-25-21-7-9-22(10-8-21)26-17-16-24-15-13-23-12-11-19-5-3-4-6-20(19)18-23/h3-10H,2,11-18H2,1H3 |
PubChem CID | 1825674 |
ChEMBL | CHEMBL1533231 |
IUPHAR | N/A |
BindingDB | 96617 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 2078.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
IC50 | <3324.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
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