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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameTMQ, 5,8-Difluoro
Molecular formulaC19H21F2NO5
IUPAC name5,8-difluoro-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Molecular weight381.376
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP2.7
SynonymsBDBM82498
PDSP1_000593
PDSP2_000590
CHEMBL358648
Inchi KeyJSUCHNUEMCJTOS-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H21F2NO5/c1-25-12-7-9(8-13(26-2)19(12)27-3)6-11-14-10(4-5-22-11)15(20)17(23)18(24)16(14)21/h7-8,11,22-24H,4-6H2,1-3H3
PubChem CID10339796
ChEMBLCHEMBL358648
IUPHARN/A
BindingDB82498
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
159080Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
159079Beta-2 adrenergic receptorQ8K4Z4Adrb2Cavia porcellus (Guinea pig)418
556083Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
159077Thromboxane A2 receptorP34978Tbxa2rRattus norvegicus (Rat)341
159078Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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