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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

NameCHEMBL3329755
Molecular formulaC23H25F3N4O3S
IUPAC nameN-ethyl-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
Molecular weight494.533
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.4
SynonymsML380
GTPL8687
VU0481443-3
ML-380
BDBM50023229
[ Show all ]
Inchi KeyFJPQEOQGIZSLES-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H25F3N4O3S/c1-2-29(15-17-5-3-4-6-20(17)23(24,25)26)22(31)16-9-11-30(12-10-16)34(32,33)19-7-8-21-18(13-19)14-27-28-21/h3-8,13-14,16H,2,9-12,15H2,1H3,(H,27,28)
PubChem CID71737672
ChEMBLCHEMBL3329755
IUPHAR8687
BindingDB50023229
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: 11
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
444860Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
444852Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460
444857Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
444851Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466
444859Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
444854Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590
444855Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589
444856Muscarinic acetylcholine receptor M4P08485Chrm4Rattus norvegicus (Rat)478
444858Muscarinic acetylcholine receptor M4P08173CHRM4Homo sapiens (Human)479
79951Muscarinic acetylcholine receptor M5P08912CHRM5Homo sapiens (Human)532
444853Muscarinic acetylcholine receptor M5P08911Chrm5Rattus norvegicus (Rat)531

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