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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

NameUNII-JO67EL43YO
Molecular formulaC14H18ClN2O2+
IUPAC name4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl-trimethylazanium
Molecular weight281.76
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP2.7
Synonyms(4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium
4-[N-(3-chlorophenyl)carbamoyloxy]-2-butynyltrimethylammonium chloride
CHEMBL40554
NCGC00015261-01
(McN-A-343) [4-(3-Chloro-phenylcarbamoyloxy)-but-2-ynyl]-trimethyl-ammonium; chloride
[ Show all ]
Inchi KeyDDKOMKXCUXCQBS-UHFFFAOYSA-O
Inchi IDInChI=1S/C14H17ClN2O2/c1-17(2,3)9-4-5-10-19-14(18)16-13-8-6-7-12(15)11-13/h6-8,11H,9-10H2,1-3H3/p+1
PubChem CID4022
ChEMBLCHEMBL40554
IUPHARN/A
BindingDB50006584
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: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
57147Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460
57151Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
57150Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466
57152Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
57154Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589
57155Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590
57148Muscarinic acetylcholine receptor M4P08173CHRM4Homo sapiens (Human)479
57153Muscarinic acetylcholine receptor M5P08912CHRM5Homo sapiens (Human)532
57149Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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