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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Muscarinic acetylcholine receptor M2
Species	Rattus norvegicus (Rat)
Gene	Chrm2
Synonym	cholinergic receptor cholinergic receptor, muscarinic 2 AChR M2 Chrm-2 M2 muscarinic acetylcholine receptor M2 receptor cholinergic receptor, muscarinic 2, cardiac [ Show all ]
Disease	N/A for non-human GPCRs
Length	466
Amino acid sequence	MNNSTNSSNNGLAITSPYKTFEVVFIVLVAGSLSLVTIIGNILVMVSIKVNRHLQTVNNYFLFSLACADLIIGVFSMNLYTLYTVIGYWPLGPVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPVKRTTKMAGMMIAAAWVLSFILWAPAILFWQFIVGVRTVEDGECYIQFFSNAAVTFGTAIAAFYLPVIIMTVLYWHISRASKSRIKKEKKEPVANQDPVSPSLVQGRIVKPNNNNMPGGDGGLEHNKIQNGKAPRDGVTENCVQGEEKESSNDSTSVSAVASNMRDDEITQDENTVSTSLGHSRDDNSKQTCIKIVTKAQKGDVCTPTSTTVELVGSSGQNGDEKQNIVARKIVKMTKQPAKKKPPPSREKKVTRTILAILLAFIITWAPYNVMVLINTFCAPCIPNTVWTIGYWLCYINSTINPACYALCNATFKKTFKHLLMCHYKNIGATR
UniProt	P10980
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	CHEMBL309
IUPHAR	14
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-[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 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) [ 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	1288.25 nM	PMID23200253	ChEMBL
IC50	1290.0 nM	PMID23200253	BindingDB,ChEMBL

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