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GLASS

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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	1-(2-methylbenzyl)-1H-indole-2,3-dione
Molecular formula	C16H13NO2
IUPAC name	1-[(2-methylphenyl)methyl]indole-2,3-dione
Molecular weight	251.285
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	2.4
Synonyms	AC1LW9N7 HTS028124 VU0238477-1 BAS 03084511 SCHEMBL15928248 1-(2-Methyl-benzyl)-1H-indole-2,3-dione 1-[(2-methylphenyl)methyl]benzo[d]azoline-2,3-dione CHEMBL493834 ST50269665 AK-778/15445001 MCULE-2266193402 ZINC2057010 BBL008386 SR-01000465886 1-[(2-methylphenyl)methyl]indole-2,3-dione F0914-7507 STK068250 AKOS000245411 MolPort-001-988-275 SR-01000465886-1 1-[(2-methylphenyl)methyl]-2,3-dihydro-1H-indole-2,3-dione [ Show all ]
Inchi Key	BDMQEKTUDOKLEI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H13NO2/c1-11-6-2-3-7-12(11)10-17-14-9-5-4-8-13(14)15(18)16(17)19/h2-9H,10H2,1H3
PubChem CID	1721573
ChEMBL	CHEMBL493834
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
%max	36.34 %	PMID19438238	ChEMBL

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