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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Muscarinic acetylcholine receptor M5
Species	Homo sapiens (Human)
Gene	CHRM5
Synonym	M5R M5 receptor cholinergic receptor cholinergic receptor, muscarinic 5
Disease	Urinary incontinence Colitis Dysmenorrhea Irritable bowel syndrome Myasthenia gravis Neurological disease Schizophrenia Stomach ulcer Cognitive disorders Chronic obstructive pulmonary disease Allergic rhinitis Central and peripheral nervous diseases Brain diseases Amnesia [ Show all ]
Length	532
Amino acid sequence	MEGDSYHNATTVNGTPVNHQPLERHRLWEVITIAAVTAVVSLITIVGNVLVMISFKVNSQLKTVNNYYLLSLACADLIIGIFSMNLYTTYILMGRWALGSLACDLWLALDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTPKRAGIMIGLAWLISFILWAPAILCWQYLVGKRTVPLDECQIQFLSEPTITFGTAIAAFYIPVSVMTILYCRIYRETEKRTKDLADLQGSDSVTKAEKRKPAHRALFRSCLRCPRPTLAQRERNQASWSSSRRSTSTTGKPSQATGPSANWAKAEQLTTCSSYPSSEDEDKPATDPVLQVVYKSQGKESPGEEFSAEETEETFVKAETEKSDYDTPNYLLSPAAAHRPKSQKCVAYKFRLVVKADGNQETNNGCHKVKIMPCPFPVAKEPSTKGLNPNPSHQMTKRKRVVLVKERKAAQTLSAILLAFIITWTPYNIMVLVSTFCDKCVPVTLWHLGYWLCYVNSTVNPICYALCNRTFRKTFKMLLLCRWKKKKVEEKLYWQGNSKLP
UniProt	P08912
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	T79961
ChEMBL	CHEMBL2035
IUPHAR	17
DrugBank	BE0000247, BE0004890

Ligand

Name	MLS004576082
Molecular formula	C18H15F3N2O6
IUPAC name	3-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(nitromethyl)-5-(trifluoromethoxy)indol-2-one
Molecular weight	412.321
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	3.2
Synonyms	SMR003378507 CHEMBL2381692 VU0462442-2 3-hydroxy-1-(4-methoxybenzyl)-3-(nitromethyl)-5-(trifluoromethoxy)indolin-2-one
Inchi Key	BKLKQXXGFNYIFP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H15F3N2O6/c1-28-12-4-2-11(3-5-12)9-22-15-7-6-13(29-18(19,20)21)8-14(15)17(25,16(22)24)10-23(26)27/h2-8,25H,9-10H2,1H3
PubChem CID	57525867
ChEMBL	CHEMBL2381692
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	1380.0 nM	PubChem BioAssay data set	ChEMBL
EC50	1400.0 nM	PMID23562060	ChEMBL
Emax	75.0 %	PMID23562060	ChEMBL

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