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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	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	ethylestrenol
Molecular formula	C20H32O
IUPAC name	(8R,9S,10R,13S,14S,17S)-17-ethyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
Molecular weight	288.475
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	5.1
Synonyms	AC1L22FG D01414 Duraboral Ethylestrenolum [INN-Latin] Etilestrenolo [DCIT] MLS001424123 ORG-483 ZINC4215863 19-Nor-17-alpha-pregn-4-en-17-ol CAS-965-90-2 DSSTox_CID_3024 Ethyloestrenol HSDB 3327 NCGC00167514-02 SCHEMBL147908 (17beta)-17-ethylestr-4-en-17-ol 19-Nor-17alpha-pregn-4-en-17beta-ol 19-Norpregn-4-en-17-ol, (17alpha)- DTXSID6023024 Ethylestrenol [USAN:INN] Etilestrenol [INN-Spanish] Maxibolin Orabolin Tox21_112512_1 17alpha-Ethylestr-4-en-17beta-ol ADC79EK5Q8 D0SC8F EINECS 213-523-6 Ethylnandrol GTPL6948 NC00264 Orgabolin (17-alpha)-19-Norpregn-4-en-17-ol 19-Nor-17alpha-pregn-4-en-17-ol CCG-101014 DSSTox_GSID_23024 Ethylestrenol (USAN/INN) Ethyloestrenolum LS-97392 Neodurabolin SMR000238204 (8R,9S,10R,13S,14S,17S)-17-ethyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol 19-Norpregn-4-en-17-ol, (17-alpha)- 965-90-2 CHEMBL1200623 Durabolin-O Ethylestrenolum Etilestrenolo MLS000759411 Orabolin (TN) UNII-ADC79EK5Q8 17beta-Hydroxy-17alpha-ethyl-19-nor-4-androstene API0002632 DB01493 Estr-4-en-17beta-ol, 17-ethyl- Ethylnandrol (JAN) HMS2051P08 NCGC00167514-01 Orgaboral (17alpha)-19-norpregn-4-en-17-ol 19-Nor-17alpha-pregn-4-en-17-ol (8CI) CHEBI:31578 DSSTox_RID_76835 Ethylestrenol [USAN:INN:BAN] Etilestrenol Maxibalin NSC 37726 Tox21_112512 17alpha-Ethyl-17beta-hydroxy-4-estrene 19-Norpregn-4-en-17-ol, (17-alpha)- (9CI) [ Show all ]
Inchi Key	AOXRBFRFYPMWLR-XGXHKTLJSA-N
Inchi ID	InChI=1S/C20H32O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h6,15-18,21H,3-5,7-13H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1
PubChem CID	13765
ChEMBL	CHEMBL1200623
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	292.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	104.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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