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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 | MLS000521189 |
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Molecular formula | C21H20FNO4S |
IUPAC name | 5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(2-phenylethyl)furan-2-carboxamide |
Molecular weight | 401.452 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 3.4 |
Synonyms | 5-[(2-fluorobenzyl)sulfonylmethyl]-N-phenethyl-2-furamide BDBM96610 HMS2466K21 5-[(2-fluorophenyl)methylsulfonylmethyl]-N-phenethylfuran-2-carboxamide CHEMBL1700180 [ Show all ] |
Inchi Key | CHYXIBROVMUMRJ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H20FNO4S/c22-19-9-5-4-8-17(19)14-28(25,26)15-18-10-11-20(27-18)21(24)23-13-12-16-6-2-1-3-7-16/h1-11H,12-15H2,(H,23,24) |
PubChem CID | 3582921 |
ChEMBL | CHEMBL1700180 |
IUPHAR | N/A |
BindingDB | 96610 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 2781.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
IC50 | 5694.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
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