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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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GPCR

Name	Muscarinic acetylcholine receptor M4
Species	Rattus norvegicus (Rat)
Gene	Chrm4
Synonym	cholinergic receptor cholinergic receptor, muscarinic 4 Chrm-4 HM3 M4 receptor
Disease	N/A for non-human GPCRs
Length	478
Amino acid sequence	MXNFTPVNGSSANQSVRLVTAAHNHLETVEMVFIATVTGSLSLVTVVGNILVMLSIKVNRQLQTVNNYFLFSLGCADLIIGAFSMNLYTLYIIKGYWPLGAVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPARRTTKMAGLMIAAAWVLSFVLWAPAILFWQFVVGKRTVPDNQCFIQFLSNPAVTFGTAIAAFYLPVVIMTVLYIHISLASRSRVHKHRPEGPKEKKAKTLAFLKSPLMKPSIKKPPPGGASREELRNGKLEEAPPPALPPPPRPVPDKDTSNESSSGSATQNTKERPPTELSTAEATTPALPAPTLQPRTLNPASKWSKIQIVTKQTGNECVTAIEIVPATPAGMRPAANVARKFASIARNQVRKKRQMAARERKVTRTIFAILLAFILTWTPYNVMVLVNTFCQSCIPERVWSIGYWLCYVNSTINPACYALCNATFKKTFRHLLLCQYRNIGTAR
UniProt	P08485
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL317
IUPHAR	16
DrugBank	N/A

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	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) 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 [ 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
IC50	489.78 nM	PMID23200253	ChEMBL
IC50	493.0 nM	PMID23200253	BindingDB,ChEMBL

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