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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 | 3-chloro-5-(phenethylamino)-4-isothiazolecarbonitrile |
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Molecular formula | C12H10ClN3S |
IUPAC name | 3-chloro-5-(2-phenylethylamino)-1,2-thiazole-4-carbonitrile |
Molecular weight | 263.743 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 4.5 |
Synonyms | MS-2858 866009-33-8 HMS2624F13 SR-01000308664-1 3-chloro-5-(2-phenylethylamino)-4-isothiazolecarbonitrile [ Show all ] |
Inchi Key | BOLGJEONPMUAMD-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C12H10ClN3S/c13-11-10(8-14)12(17-16-11)15-7-6-9-4-2-1-3-5-9/h1-5,15H,6-7H2 |
PubChem CID | 3787753 |
ChEMBL | CHEMBL1312140 |
IUPHAR | N/A |
BindingDB | 96700 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 434.23 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
IC50 | 2256.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
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