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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 | MLS000622033 |
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Molecular formula | C23H22FN5 |
IUPAC name | 7-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)-5-phenylpyrrolo[2,3-d]pyrimidine |
Molecular weight | 387.462 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 4.3 |
Synonyms | AC1LU7FB MCULE-5848659044 ZINC1447671 7-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine CCG-199390 [ Show all ] |
Inchi Key | BULMODKVYZUWGQ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H22FN5/c1-27-11-13-28(14-12-27)22-21-20(17-5-3-2-4-6-17)15-29(23(21)26-16-25-22)19-9-7-18(24)8-10-19/h2-10,15-16H,11-14H2,1H3 |
PubChem CID | 1522618 |
ChEMBL | CHEMBL1490948 |
IUPHAR | N/A |
BindingDB | 96912 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 10036.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
IC50 | 3167.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
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