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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	orphenadrine
Molecular formula	C18H23NO
IUPAC name	N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine
Molecular weight	269.388
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	3.8
Synonyms	dimethyl({2-[(2-methylphenyl)(phenyl)methoxy]ethyl})amine Phenyl-o-tolylmethyl dimethyaminoethyl ether EINECS 201-509-2 SCHEMBL28727 IDI1_000853 Spectrum_001045 KBioSS_001525 Mephenamine 341-69-5 (hydrochloride) N,N-dimethyl-2-(alpha-2-tolylbenzoyloxy)ethylamine AB00053510_21 N,N-dimethyl-2-{[(2-methylphenyl)(phenyl)methyl]oxy}ethanamine beta-Dimethylaminoethyl-2-methylbenzhydryl ether NCGC00089814-02 Brocasipal Oprea1_476547 CCG-204966 Orphenadrine(INN) dimethyl{2-[(2-methylphenyl)phenylmethoxy]ethyl}amine Prestwick1_000239 Ethylamine, N,N-dimethyl-2-((o-methyl-.alpha.-phenylbenzyl)oxy)- SPBio_002238 KBio2_001525 LS-68148 Mialgin (TN) N,N-Dimethyl-2-[(2-methylphenyl)(phenyl)methoxy]ethanamine Antiflex NCGC00015771-06 BPBio1_000349 NINDS_000853 BS-5930 Orfro CHEMBL900 Orphenate DivK1c_000853 QVYRGXJJSLMXQH-UHFFFAOYSA-N GTPL7251 Spectrum4_000460 KBio3_001641 Mefenamine 2-(Phenyl-o-tolylmethoxy)ethyldimethylamine Myotrol AB00053510-19 N,N-Dimethyl-2-[(o-methyl-.alpha.-phenylbenzyl)oxy]ethylamine BDBM50062614 NCGC00015771-10 BRN 1885151 o-Methyldiphenhydramine C07935 Orphenadinum Orphenadrine (INN) dimethyl-2[alpha-(o-tolyl)benzyloxy]ethylamine Phenyl-o-tolylmethyl dimethylaminoethyl ether Ethanamine, N,N-dimethyl-2-((2-methylphenyl)phenylmethoxy)- Sodium Mefenamine Invagesic ST50406606 L001253 Mephenamine (Salt/Mix) 4-06-00-04727 (Beilstein Handbook Reference) N,N-Dimethyl-2-(o-methyl-alpha-phenylbenzyl)oxy)ethylamine AC1L1IJ4 NCGC00015771-03 Biorphen NCGC00089814-03 Brocasipal (Salt/Mix) Orfenadrina CHEBI:7789 D08305 Orphenadrinum Disipal Prestwick2_000239 Ethylamine, N,N-dimethyl-2-((o-methyl-alpha-phenylbenzyl)oxy)- Spectrum2_001038 KBio2_004093 Lysantin Mio-Rel 83-98-7 N,N-Dimethyl-2-[(2-methylphenyl)(phenyl)methoxy]ethanamine # API0000039 NCGC00015771-07 BRD-A53576514-003-03-1 Norflex Orphenadrine Citrate BSPBio_000317 ORP DB01173 Orphenedrine DTXSID3023396 SBI-0050859.P004 HSDB 3139 Spectrum5_001036 KBioGR_000880 Mephenamin (TN) 2-Methyldiphenhydramine N,N-Dimethyl-2-(alpha-2-tolylbenzoyloxy)ethylamin AB00053510_20 N,N-Dimethyl-2-[(o-methyl-alpha-phenylbenzyl)oxy]ethylamine beta-Dimethylaminoethyl 2-methylbenzhydryl ether NCGC00015771-12 Brocadisipal o-Monomethyldiphenhydramine CBDivE_006102 Orphenadrin Orphenadrine [INN:BAN] Dimethyl-[2-(phenyl-o-tolyl-methoxy)-ethyl]-amine Prestwick0_000239 Ethanamine, N,N-dimethyl-2-[(2-methylphenyl)phenylmethoxy]- SPBio_001255 KBio1_000853 WS 2434 Lopac0_000884 Methyldiphenylhydramine 4682-36-4 (citrate) N,N-dimethyl-2-(phenyl(o-tolyl)methoxy)ethanamine AKOS027379368 NCGC00015771-05 Biorphen (TN) NCGC00089814-05 Brocasipal (TN) Orfenadrina [INN-Spanish] D0D9FV Orphenadrinum [INN-Latin] Disipal (TN) Prestwick3_000239 Flexon (TN) Spectrum3_000531 KBio2_006661 MCULE-7320950210 .beta.-Dimethylaminoethyl 2-methylbenzhydryl ether Myolin AB00053510 N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine Banflex (TN) NCGC00015771-09 BRD-A53576514-048-06-9 Norgesic BSPBio_002141 Orphenadine [ Show all ]
Inchi Key	QVYRGXJJSLMXQH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3
PubChem CID	4601
ChEMBL	CHEMBL900
IUPHAR	N/A
BindingDB	50062614
DrugBank	DB01173
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	376.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	134.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	213.0 nM	PMID8100134	PDSP,BindingDB

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