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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 | MLS003777871 |
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Molecular formula | C25H34ClN3O3 |
IUPAC name | (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-cyclohexyl-2-(cyclopropanecarbonylamino)acetyl]pyrrolidine-2-carboxamide |
Molecular weight | 460.015 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 2 |
XlogP | 4.4 |
Synonyms | (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-cyclohexyl-2-[[cyclopropyl(oxo)methyl]amino]-1-oxoethyl]-2-pyrrolidinecarboxamide VU0453821-1 (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-cyclohexyl-2-(cyclopropanecarbonylamino)acetyl]pyrrolidine-2-carboxamide CHEMBL2355110 (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-cyclohexyl-2-(cyclopropylcarbonylamino)ethanoyl]pyrrolidine-2-carboxamide [ Show all ] |
Inchi Key | BEAIZLANBHGTQC-VXKWHMMOSA-N |
Inchi ID | InChI=1S/C25H34ClN3O3/c26-20-10-5-4-7-17(20)14-15-27-24(31)21-11-6-16-29(21)25(32)22(18-8-2-1-3-9-18)28-23(30)19-12-13-19/h4-5,7,10,18-19,21-22H,1-3,6,8-9,11-16H2,(H,27,31)(H,28,30)/t21-,22-/m0/s1 |
PubChem CID | 53361865 |
ChEMBL | CHEMBL2355110 |
IUPHAR | N/A |
BindingDB | 96861 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 12113.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
IC50 | 8992.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
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