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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	TBPB
Molecular formula	C25H32N4O
IUPAC name	3-[1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
Molecular weight	404.558
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.4
Synonyms	2-pyrrol-1-yl-1,3,2-dioxaphospholan BDBM50263887 FT-0746315 NCGC00390669-01 1-(1''-(2-methylbenzyl)-1,4''-bipiperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one CHEMBL522460 KB-80818 1-(1'-(2-Methylbenzyl)-[1,4'-bipiperidin]-4-yl)-1H-benzo[d]imidazol-2(3H)-one API0014162 D0M2LD M1mAChRs (neurological disorder), Merck & Co Y6339 2-Pyrrolo-1,3,2-dioxa-phospholan BRD-K86989957-001-01-7 GTPL3258 QC-11734 1-(1''-2-methylbenzyl)-1,4''-bipiperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one 634616-95-8 CS-3517 M1 muscarinic acetylcholine receptor agonist (Alzherimer's disease) TBPB(1-(1'-(2-methylbenzyl)-1,4'-bipiperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one) 1-[1-[1-(2-Methylbenzyl)piperidin-4-yl]piperidin-4-yl]-1,3-dihydro-2H-benzimidazol-2-one BCP13406 DA-41854 MolPort-020-282-287 ZINC40423557 3-[1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one HY-14562 SCHEMBL5473311 1-(1'-(2-methylbenzyl)-1,4'-bipiperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one AKOS026750197 CWPKTBMRVATCBL-UHFFFAOYSA-N M1 muscarinic acetylcholine receptor agonist (Alzherimer's disease), Merck & Co TBPB, >=98% (HPLC) [ Show all ]
Inchi Key	CWPKTBMRVATCBL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H32N4O/c1-19-6-2-3-7-20(19)18-27-14-10-21(11-15-27)28-16-12-22(13-17-28)29-24-9-5-4-8-23(24)26-25(29)30/h2-9,21-22H,10-18H2,1H3,(H,26,30)
PubChem CID	10092649
ChEMBL	CHEMBL522460
IUPHAR	N/A
BindingDB	50263887
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	<30000.0 nM	PMID23200253	BindingDB,ChEMBL
EC50	<50000.0 nM	PMID18829311, PMID18805692	BindingDB,ChEMBL
Emax	5.0 %	PMID20684563	ChEMBL
IC50	4897.79 nM	PMID23200253	ChEMBL
IC50	4900.0 nM	PMID23200253	BindingDB,ChEMBL
Ki	940.0 nM	PMID20684563	BindingDB,ChEMBL

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