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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 | MLS003777904 |
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Molecular formula | C29H30ClN3O3 |
IUPAC name | (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2-methylbenzoyl)amino]-2-phenylacetyl]pyrrolidine-2-carboxamide |
Molecular weight | 504.027 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 2 |
XlogP | 5.2 |
Synonyms | (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2-methylbenzoyl)amino]-2-phenylacetyl]pyrrolidine-2-carboxamide CHEMBL2360290 (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2-methylphenyl)carbonylamino]-2-phenyl-ethanoyl]pyrrolidine-2-carboxamide SMR002440884 BDBM96877 [ Show all ] |
Inchi Key | BSZANXVQBHWUHH-UIOOFZCWSA-N |
Inchi ID | InChI=1S/C29H30ClN3O3/c1-20-10-5-7-14-23(20)27(34)32-26(22-12-3-2-4-13-22)29(36)33-19-9-16-25(33)28(35)31-18-17-21-11-6-8-15-24(21)30/h2-8,10-15,25-26H,9,16-19H2,1H3,(H,31,35)(H,32,34)/t25-,26-/m0/s1 |
PubChem CID | 53361906 |
ChEMBL | CHEMBL2360290 |
IUPHAR | N/A |
BindingDB | 96877 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 6116.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
IC50 | 7722.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
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