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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	Desvenlafaxine
Molecular formula	C16H25NO2
IUPAC name	4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol
Molecular weight	263.381
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	2.6
Synonyms	O-DESMETHYLVENLAFAXINE (ODV) PDSP2_001787 1-[2-dimethylamino-1-(4-hydroxyphenyl)ethyl]cyclohexanol SMR004701214 413D628 ACMC-20ek0k CAS_386750-22-7 D0O3FG DS-1282 I06-2078 MLS006010042 O-Desmethylvenlafaxine solution, 100 mug/mL in methanol, ampule of 1 mL, certified reference material S-2830 4-[2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol TR-029259 93413-62-8 AT-19352 CHEMBL1118 Desvenlafaxine (INN) FT-0654519 Khedezla NSC_6918664 ODV 1-[1-(4-hydroxyphenyl)-2-dimethylaminoethyl]cyclohexanol SC-82264 4-[2-Dimethyamino-1-(1-hydroxycyclohexyl)ethyl]phenol Wy-45233 AB01563022_01 BDBM86748 d,l-O-Desmethylvenlafaxine Desvenlafaxine, 97% HSDB 7993 KYYIDSXMWOZKMP-UHFFFAOYSA-N O-desmethyl-venlafaxine O-Desmethylvenlafaxine 0.1 mg/ml in Methanol Phenol, 4-(2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)- 4-(2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)phenol ST2410953 4CH-007182 AK-72949 CHEBI:83527 DB06700 DVS 233 J10126 MolPort-003-846-411 O-Desmethylvenlafaxine, analytical standard (RS)-1-[2-(dimethylamino)-1-(4-hydroxyphenyl)ethyl]cyclohexanol s4113 4-[2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol # WY 45,233 A844583 AX8123273 CS-2818 Desvenlafaxine [INN:BAN] GTPL7158 Khedezla (TN) O-desmethyl venlafaxine O-Desmethylvenlafaxine PDSP1_001804 1-[2-(dimethylamino)-1-(4-hydroxyphenyl)ethyl]cyclohexanol SCHEMBL34864 4-[2-dimethylamino-1-(1-hydroxycyclohexyl)ethyl]phenol X4688 AC1L2NUV BR-72949 D07793 dl-o-desmethylvenlafaxin HY-B0602 LS-178212 O-Desmethylvenlafaxine solution, 1.0 mg/mL in methanol, certified reference material Phenol, 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]- 4-[1-(1-hydroxycyclohexyl)-2-(dimethylamino)ethyl]phenol SW219514-2 AKOS015896311 EC 700-516-2 KB-33580 NCGC00345883-04 O-Desvenlafaxine (S)-Desmethyl Venlafaxine D6 SB17444 4-[2-(dimethylamino)-1-(1-oxidanylcyclohexyl)ethyl]phenol WY-45,233 AB0031560 BCP28517 CTK8E8385 desvenlafaxine(o-desnethylvenfaxine) HMS3652K16 KS-00000FZO o-desmethyl venlafaxine-d10 [ Show all ]
Inchi Key	KYYIDSXMWOZKMP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
PubChem CID	125017
ChEMBL	CHEMBL1118
IUPHAR	N/A
BindingDB	86748
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<10000.0 nM	PMID16675639	BindingDB

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