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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 | MLS003777924 |
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Molecular formula | C25H28Cl3N3O3 |
IUPAC name | (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(3,4-dichlorobenzoyl)amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide |
Molecular weight | 524.867 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 2 |
XlogP | 5.8 |
Synonyms | CHEMBL2356494 (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(3,4-dichlorophenyl)carbonylamino]-3-methyl-butanoyl]pyrrolidine-2-carboxamide SMR002440904 BDBM96885 (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(3,4-dichlorobenzoyl)amino]-3-methyl-butanoyl]pyrrolidine-2-carboxamide [ Show all ] |
Inchi Key | CKUPHHILFUTXSL-VXKWHMMOSA-N |
Inchi ID | InChI=1S/C25H28Cl3N3O3/c1-15(2)22(30-23(32)17-9-10-19(27)20(28)14-17)25(34)31-13-5-8-21(31)24(33)29-12-11-16-6-3-4-7-18(16)26/h3-4,6-7,9-10,14-15,21-22H,5,8,11-13H2,1-2H3,(H,29,33)(H,30,32)/t21-,22-/m0/s1 |
PubChem CID | 53361926 |
ChEMBL | CHEMBL2356494 |
IUPHAR | N/A |
BindingDB | 96885 |
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 | 1454.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
IC50 | 1530.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
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