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GLASS

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GPCR

Name	Muscarinic acetylcholine receptor M2
Species	Homo sapiens (Human)
Gene	CHRM2
Synonym	cholinergic receptor AChR M2 M2 muscarinic acetylcholine receptor M2 receptor Chrm-2 cholinergic receptor, muscarinic 2, cardiac cholinergic receptor, muscarinic 2 [ Show all ]
Disease	Urinary incontinence Heart failure Nausea; Addiction Parkinson's disease Peptic ulcer Stabilize muscle contractions Unspecified Cardiovascular disorder Asthma Alzheimer disease [ Show all ]
Length	466
Amino acid sequence	MNNSTNSSNNSLALTSPYKTFEVVFIVLVAGSLSLVTIIGNILVMVSIKVNRHLQTVNNYFLFSLACADLIIGVFSMNLYTLYTVIGYWPLGPVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPVKRTTKMAGMMIAAAWVLSFILWAPAILFWQFIVGVRTVEDGECYIQFFSNAAVTFGTAIAAFYLPVIIMTVLYWHISRASKSRIKKDKKEPVANQDPVSPSLVQGRIVKPNNNNMPSSDDGLEHNKIQNGKAPRDPVTENCVQGEEKESSNDSTSVSAVASNMRDDEITQDENTVSTSLGHSKDENSKQTCIRIGTKTPKSDSCTPTNTTVEVVGSSGQNGDEKQNIVARKIVKMTKQPAKKKPPPSREKKVTRTILAILLAFIITWAPYNVMVLINTFCAPCIPNTVWTIGYWLCYINSTINPACYALCNATFKKTFKHLLMCHYKNIGATR
UniProt	P08172
Protein Data Bank	5zkc, 4mqs, 4mqt, 5yc8, 5zk3, 5zkb, 5zk8
GPCR-HGmod model	P08172
3D structure model	This structure is from PDB ID 5zkc.
BioLiP	BL0433341, BL0433216, BL0263147, BL0263146, BL0263145, BL0433339, BL0433340, BL0433338
Therapeutic Target Database	T46185
ChEMBL	CHEMBL211
IUPHAR	14
DrugBank	BE0000560

Ligand

Name	pirenzepine
Molecular formula	C19H21N5O2
IUPAC name	11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Molecular weight	351.41
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	0.1
Synonyms	Spectrum_001378 FT-0600051 KBio1_000127 L000485 NCGC00015836-03 11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one NCGC00015836-12 3G0285N20N Pirenzepina AB00053603_09 Pirenzepinum [INN-Latin] BRD-K89375097-300-06-2 SCHEMBL41705 CCG-205042 CHEMBL9967 Tox21_110239_1 DSSTox_CID_3487 Gastrozepin KBio2_006994 LS-133128 11-[(4-Methyl-1-piperazinyl)acetyl]-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one # NCGC00015836-06 11-[2-(4-methylpiperazino)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one;hydrochloride NCGC00024297-05 6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 5,11-dihydro-11-((4-methyl-1-piperazinyl)acetyl)- Pirenzepine (INN) API0006928 Prestwick2_000129 BSPBio_002945 SPBio_002117 Spectrum4_000437 D08389 ZINC19632927 DTXSID7023487 HMS2089K21 KBioSS_001858 NCGC00015836-01 11-[2-(4-Methyl-piperazin-1-yl)-acetyl]-5,11-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-6-one NCGC00015836-09 PDSP2_000949 AB00053603 pirenzepinedihydrochloride BPBio1_000196 RMHMFHUVIITRHF-UHFFFAOYSA-N CAS-28797-61-7 CHEBI:8247 Tocris-1071 DB00670 Gasteril KBio2_001858 Lopac-P-7412 NCGC00015836-04 11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one;hydrochloride NCGC00024297-02 5,11-Dihydro-11-((4-methyl-1-piperazinyl)acetyl)-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one Pirenzepina [INN-Spanish] AC1L1J3B Prestwick0_000129 BRN 0628987 SMR000058502 cid_185248 Ulcosan DSSTox_GSID_23487 Gastrozepin (TN) KBio3_002445 LS-519 11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one NCGC00015836-07 2-[2-(4-methylpiperazin-1-yl)acetyl]-2,4,9-triazatricyclo[9.4.0.0;{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one NINDS_000127 6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 5,11-dihydro-11-[(4-methyl-1-piperazinyl)acetyl]- Pirenzepine Gastrozepin BCP12188 Prestwick3_000129 C07508 Spectrum2_001417 Spectrum5_001344 D0T0LM EINECS 249-228-4 IDI1_000127 L-S 519 NCGC00015836-02 11-[2-(4-methylpiperazin-1-yl)-acetyl]-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one NCGC00015836-10 Pirenzepin AB00053603-08 Pirenzepinum BRD-K89375097-300-05-4 SBI-0050935.P003 CAS-29868-97-1 Tox21_110239 DivK1c_000127 Gastrotsepin KBio2_004426 Lopac0_000962 11-((4-Methyl-1-piperazinyl)acetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one NCGC00015836-05 11-[2-(4-methylpiperazin-1-yl)ethanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one;hydrochloride NCGC00024297-04 5,11-Dihydro-11-[(4-methyl-1-piperazinyl)acetyl]-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one AKOS015969751 Prestwick1_000129 BSPBio_000178 SPBio_001494 Spectrum3_001453 CTK6I3129 UNII-3G0285N20N DSSTox_RID_77049 GTPL328 KBioGR_000794 MLS000069702 11-[2-(4-methyl-1-piperazinyl)-1-oxoethyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one;hydrochloride NCGC00015836-08 28797-61-7 PDSP1_000965 97P617 Pirenzepine [INN:BAN] BDBM39341 Pyrenzepine C19H21N5O2 [ Show all ]
Inchi Key	RMHMFHUVIITRHF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
PubChem CID	4848
ChEMBL	CHEMBL9967
IUPHAR	328
BindingDB	39341
DrugBank	DB00670
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	968.0 nM	PMID9986705	BindingDB
IC50	968.2 nM	PMID9986705	ChEMBL
Kb	50000.0 nM	PMID2738887	ChEMBL
Kd	50118.7 nM	PMID2738887	ChEMBL
Kd	50119.0 nM	PMID2738887	BindingDB
Ki	<10000.0 nM	PMID3272174	PDSP,BindingDB
Ki	17.3 nM	PMID2746503	BindingDB
Ki	173.78 nM	PMID18595721	BindingDB,ChEMBL
Ki	199.526 nM	PMID8016895	PDSP
Ki	199.526 - 1000.0 nM	PMID12049493, PMID2704370, PMID7925952, PMID9454790, PMID16188951, PMID1994002, PMID9113359, PMID2043926	IUPHAR
Ki	223.87 nM	PMID1994002	BindingDB
Ki	223.872 nM	PMID1994002	PDSP
Ki	251.0 nM	, Bioorg. Med. Chem. Lett., (1996) 6:7:785	BindingDB,ChEMBL
Ki	270.0 nM	PMID1346637, PMID7853341	PDSP,BindingDB,ChEMBL
Ki	374.0 nM	PMID9454790	PDSP,BindingDB
Ki	459.0 nM	PMID2746503	BindingDB
Ki	470.0 nM	PMID9121349	PDSP
Ki	524.0 nM	PMID23379472	BindingDB,ChEMBL
Ki	906.0 nM	PMID2704370	PDSP,BindingDB

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