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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 | MLS000700078 |
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Molecular formula | C20H16N2O6 |
IUPAC name | N-(4-acetylphenyl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide |
Molecular weight | 380.356 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 3.2 |
Synonyms | cid_1225514 N-(4-acetylphenyl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide AK-968/40709305 SR-01000714213 N-(4-acetylphenyl)-5-[(2-nitrophenoxy)methyl]-2-furamide [ Show all ] |
Inchi Key | BLRXOTSKXPWMML-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H16N2O6/c1-13(23)14-6-8-15(9-7-14)21-20(24)19-11-10-16(28-19)12-27-18-5-3-2-4-17(18)22(25)26/h2-11H,12H2,1H3,(H,21,24) |
PubChem CID | 1225514 |
ChEMBL | CHEMBL1362116 |
IUPHAR | N/A |
BindingDB | 96909 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | <29908.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
IC50 | 204.84 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
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