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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 | MLS000705195 |
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Molecular formula | C17H25NO3 |
IUPAC name | 3-[2-(cyclohexen-1-yl)ethylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid |
Molecular weight | 291.391 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 2 |
XlogP | 2.8 |
Synonyms | cid_4132674 3-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}bicyclo[2.2.1]heptane-2-carboxylic acid 2-[2-(cyclohexen-1-yl)ethylcarbamoyl]bicyclo[2.2.1]heptane-3-carboxylic acid AKOS003301923 ST50939196 [ Show all ] |
Inchi Key | BJWCSXUZTHCWID-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C17H25NO3/c19-16(18-9-8-11-4-2-1-3-5-11)14-12-6-7-13(10-12)15(14)17(20)21/h4,12-15H,1-3,5-10H2,(H,18,19)(H,20,21) |
PubChem CID | 4132674 |
ChEMBL | CHEMBL1421450 |
IUPHAR | N/A |
BindingDB | 96646 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 6320.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
IC50 | <29890.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
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