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Ligand

NameTMQ, 5-TrifluoroMe
Molecular formulaC20H22F3NO5
IUPAC name5-(trifluoromethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Molecular weight413.393
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP3.4
SynonymsBDBM82504
PDSP1_000601
PDSP2_000598
CHEMBL143645
Inchi KeyBHLICJAYUSKMQT-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22F3NO5/c1-27-15-7-10(8-16(28-2)19(15)29-3)6-13-12-9-14(25)18(26)17(20(21,22)23)11(12)4-5-24-13/h7-9,13,24-26H,4-6H2,1-3H3
PubChem CID15133335
ChEMBLCHEMBL143645
IUPHARN/A
BindingDB82504
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
23835Beta-2 adrenergic receptorQ8K4Z4Adrb2Cavia porcellus (Guinea pig)418
23836Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343
23837Thromboxane A2 receptorP34978Tbxa2rRattus norvegicus (Rat)341

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