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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 | MLS003551927 |
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Molecular formula | C30H34N2O7 |
IUPAC name | ethyl (3S,4aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridine-4a-carboxylate |
Molecular weight | 534.609 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 3.1 |
Synonyms | BDBM96844 cid_53300042 (3S,4aS)-2-keto-3-[2-keto-2-[2-(2-methoxyphenyl)ethylamino]ethyl]-1-piperonyl-3,4,5,6-tetrahydro-1-pyrindine-4a-carboxylic acid ethyl ester ethyl (3S,4aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-2-oxidanylidene-3,4,5,6-tetrahydrocyclopenta[b]pyridine-4a-carboxylate SMR002202672 [ Show all ] |
Inchi Key | CNXCAZVTWLYVQH-RCRUUEGKSA-N |
Inchi ID | InChI=1S/C30H34N2O7/c1-3-37-29(35)30-13-6-9-26(30)32(18-20-10-11-24-25(15-20)39-19-38-24)28(34)22(17-30)16-27(33)31-14-12-21-7-4-5-8-23(21)36-2/h4-5,7-11,15,22H,3,6,12-14,16-19H2,1-2H3,(H,31,33)/t22-,30+/m1/s1 |
PubChem CID | 53300042 |
ChEMBL | CHEMBL2132933 |
IUPHAR | N/A |
BindingDB | 96844 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 7510.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
IC50 | 6465.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
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