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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 | MLS003777895 |
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Molecular formula | C26H26ClN3O3S |
IUPAC name | (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-phenyl-2-(thiophene-2-carbonylamino)acetyl]pyrrolidine-2-carboxamide |
Molecular weight | 496.022 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 4.9 |
Synonyms | (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-1-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]-2-phenylethyl]-2-pyrrolidinecarboxamide cid_53361895 (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-phenyl-2-(thiophene-2-carbonylamino)acetyl]pyrrolidine-2-carboxamide VU0453841-1 (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-phenyl-2-(2-thenoylamino)acetyl]pyrrolidine-2-carboxamide [ Show all ] |
Inchi Key | ARMMQBVRSSCQPV-GMAHTHKFSA-N |
Inchi ID | InChI=1S/C26H26ClN3O3S/c27-20-11-5-4-8-18(20)14-15-28-24(31)21-12-6-16-30(21)26(33)23(19-9-2-1-3-10-19)29-25(32)22-13-7-17-34-22/h1-5,7-11,13,17,21,23H,6,12,14-16H2,(H,28,31)(H,29,32)/t21-,23-/m0/s1 |
PubChem CID | 53361895 |
ChEMBL | CHEMBL2356751 |
IUPHAR | N/A |
BindingDB | 96873 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 7372.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
IC50 | 13846.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
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