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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 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	CHEMBL69458
Molecular formula	C35H43N7O5
IUPAC name	tert-butyl N-[4-[[4-[[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]methyl]benzoyl]amino]butyl]carbamate
Molecular weight	641.773
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	2.3
Synonyms	BDBM50012341 [4-(4-{4-[2-Oxo-2-(6-oxo-5,6-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-11-yl)-ethyl]-piperazin-1-ylmethyl}-benzoylamino)-butyl]-carbamic acid tert-butyl ester 5,11-Dihydro-11-[[4-[4-[4-(tert-butoxycarbonylamino)butylaminocarbonyl]benzyl]-1-piperazinyl]acetyl]-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Inchi Key	BPJFLYYIRYPSDC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C35H43N7O5/c1-35(2,3)47-34(46)38-17-7-6-16-37-32(44)26-14-12-25(13-15-26)23-40-19-21-41(22-20-40)24-30(43)42-29-11-5-4-9-27(29)33(45)39-28-10-8-18-36-31(28)42/h4-5,8-15,18H,6-7,16-17,19-24H2,1-3H3,(H,37,44)(H,38,46)(H,39,45)
PubChem CID	15050949
ChEMBL	CHEMBL69458
IUPHAR	N/A
BindingDB	50012341
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1090.0 nM	PMID2066986	BindingDB,ChEMBL

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