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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 | 2-chloro-1-[2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl]ethanone |
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Molecular formula | C16H18ClNO |
IUPAC name | 2-chloro-1-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]ethanone |
Molecular weight | 275.776 |
Hydrogen bond acceptor | 1 |
Hydrogen bond donor | 0 |
XlogP | 3.7 |
Synonyms | cid_1536623 MolPort-000-220-050 1-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-chloroethan-1-one 315676-31-4 HMS2659F10 [ Show all ] |
Inchi Key | BJNGSBJHZVXNCB-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C16H18ClNO/c1-12-10-15(16(19)11-17)13(2)18(12)9-8-14-6-4-3-5-7-14/h3-7,10H,8-9,11H2,1-2H3 |
PubChem CID | 1536623 |
ChEMBL | CHEMBL1525315 |
IUPHAR | N/A |
BindingDB | 54352 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 1863.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
IC50 | 9063.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
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