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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 | MLS000913198 |
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Molecular formula | C22H23NO4S |
IUPAC name | 5-[(2-ethylphenyl)sulfonylmethyl]-N-(2-phenylethyl)furan-2-carboxamide |
Molecular weight | 397.489 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 4.1 |
Synonyms | 5-{[(2-ethylphenyl)sulfonyl]methyl}-N-(2-phenylethyl)-2-furamide cid_6619424 ZINC5042824 AKOS001826597 IDI1_005068 [ Show all ] |
Inchi Key | BHKWCKMMNSPFJT-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H23NO4S/c1-2-18-10-6-7-11-21(18)28(25,26)16-19-12-13-20(27-19)22(24)23-15-14-17-8-4-3-5-9-17/h3-13H,2,14-16H2,1H3,(H,23,24) |
PubChem CID | 6619424 |
ChEMBL | CHEMBL1378576 |
IUPHAR | N/A |
BindingDB | 96779 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 4455.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
IC50 | 6378.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
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