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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 | CHEMBL154103 |
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Molecular formula | C12H12ClNO3 |
IUPAC name | (E)-4-[2-(4-chlorophenyl)ethylamino]-4-oxobut-2-enoic acid |
Molecular weight | 253.682 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 2 |
XlogP | 1.9 |
Synonyms | (E)-4-[2-(4-chlorophenyl)ethylamino]-4-oxobut-2-enoic acid cid_6148558 SMR000456815 AC1O2ADR 4-[(4-chlorophenethyl)amino]-4-oxobut-2-enoic acid [ Show all ] |
Inchi Key | ASNQTQOSQYVBIA-AATRIKPKSA-N |
Inchi ID | InChI=1S/C12H12ClNO3/c13-10-3-1-9(2-4-10)7-8-14-11(15)5-6-12(16)17/h1-6H,7-8H2,(H,14,15)(H,16,17)/b6-5+ |
PubChem CID | 6148558 |
ChEMBL | CHEMBL154103 |
IUPHAR | N/A |
BindingDB | 50136837 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 51714.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
IC50 | <29910.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
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