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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 | MLS003151666 |
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Molecular formula | C16H18N4 |
IUPAC name | 5,7-dimethyl-2-piperazin-1-ylquinoline-3-carbonitrile |
Molecular weight | 266.348 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 2.4 |
Synonyms | 5,7-dimethyl-2-piperazin-1-ylquinoline-3-carbonitrile AKOS022212891 5,7-dimethyl-2-(1-piperazinyl)-3-quinolinecarbonitrile CHEMBL2357580 5,7-dimethyl-2-piperazino-quinoline-3-carbonitrile [ Show all ] |
Inchi Key | AGWQWXZPAVLKSU-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C16H18N4/c1-11-7-12(2)14-9-13(10-17)16(19-15(14)8-11)20-5-3-18-4-6-20/h7-9,18H,3-6H2,1-2H3 |
PubChem CID | 28809628 |
ChEMBL | CHEMBL2357580 |
IUPHAR | N/A |
BindingDB | 96830 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 1550.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
IC50 | 4285.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
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