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

Name	Muscarinic acetylcholine receptor M1
Species	Rattus norvegicus (Rat)
Gene	Chrm1
Synonym	cholinergic receptor, muscarinic 1 cholinergic receptor, muscarinic 1, CNS cholinergic receptor M1 muscarinic acetylcholine receptor M1 receptor M1R Chrm-1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	460
Amino acid sequence	MNTSVPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETENRARELAALQGSETPGKGGGSSSSSERSQPGAEGSPESPPGRCCRCCRAPRLLQAYSWKEEEEEDEGSMESLTSSEGEEPGSEVVIKMPMVDSEAQAPTKQPPKSSPNTVKRPTKKGRDRGGKGQKPRGKEQLAKRKTFSLVKEKKAARTLSAILLAFILTWTPYNIMVLVSTFCKDCVPETLWELGYWLCYVNSTVNPMCYALCNKAFRDTFRLLLLCRWDKRRWRKIPKRPGSVHRTPSRQC
UniProt	P08482
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	CHEMBL276
IUPHAR	13
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	3-[1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one HY-14562 SCHEMBL5473311 TBPB, >=98% (HPLC) 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 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 Y6339 1-(1'-(2-Methylbenzyl)-[1,4'-bipiperidin]-4-yl)-1H-benzo[d]imidazol-2(3H)-one API0014162 D0M2LD M1mAChRs (neurological disorder), Merck & Co 2-Pyrrolo-1,3,2-dioxa-phospholan BRD-K86989957-001-01-7 GTPL3258 QC-11734 TBPB(1-(1'-(2-methylbenzyl)-1,4'-bipiperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one) 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) ZINC40423557 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 [ 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	79.43 nM	PMID23200253	ChEMBL
EC50	79.6 nM	PMID23200253	ChEMBL
EC50	80.0 nM	PMID23200253	BindingDB
Imax	69.3 %	PMID23200253	ChEMBL
Ki	600.0 nM	PMID23200253	BindingDB,ChEMBL
Ki	602.56 nM	PMID23200253	ChEMBL

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