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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 | MLS003777896 |
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Molecular formula | C28H34ClN3O3 |
IUPAC name | (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2-cyclopentylacetyl)amino]-2-phenylacetyl]pyrrolidine-2-carboxamide |
Molecular weight | 496.048 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 2 |
XlogP | 5.3 |
Synonyms | (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2-cyclopentyl-1-oxoethyl)amino]-1-oxo-2-phenylethyl]-2-pyrrolidinecarboxamide CHEMBL2356557 (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2-cyclopentylacetyl)amino]-2-phenyl-acetyl]pyrrolidine-2-carboxamide SMR002440876 BDBM96874 [ Show all ] |
Inchi Key | AMXGWCMJIJSVJQ-AHWVRZQESA-N |
Inchi ID | InChI=1S/C28H34ClN3O3/c29-23-14-7-6-11-21(23)16-17-30-27(34)24-15-8-18-32(24)28(35)26(22-12-2-1-3-13-22)31-25(33)19-20-9-4-5-10-20/h1-3,6-7,11-14,20,24,26H,4-5,8-10,15-19H2,(H,30,34)(H,31,33)/t24-,26-/m0/s1 |
PubChem CID | 53361896 |
ChEMBL | CHEMBL2356557 |
IUPHAR | N/A |
BindingDB | 96874 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 2198.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
IC50 | 6569.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
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