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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	fluvoxamine
Molecular formula	C15H21F3N2O2
IUPAC name	2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine
Molecular weight	318.34
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	2.6
Synonyms	Faverin Fluvoxaminum Luvox (TN) NCGC00018193-08 (2-aminoethoxy)({5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene})amine SCHEMBL33983 5-methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone O-(2-aminoethyl)oxime AB00513735_06 AX8021384 C15H21F3N2O2 D03HFG Fluvoxamina [INN-Spanish] HY-B0103 MolPort-005-943-374 NCGC00021870-05 (E)-5-Methoxy-4'-(trifluormethyl)valerophenon-O-(2-aminoethyl)oxim UNII-O4L1XPO44W 61718-82-9 (maleate) AC1NT50J BIDD:GT0609 CCG-204586 DSSTox_GSID_44002 Dumirox Fluvoxamine [INN:BAN] Lopac0_000495 NCGC00018193-06 Prestwick2_000995 2-[({5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene}amino)oxy]ethanamine AB0016707 AN-5830 BSPBio_001089 CHEMBL814 Floxyfral Fluvoxaminum [INN-Latin] Luvox, Floxyfral NCGC00018193-11 (E)-5-Methoxy-1-(4-(trifluoromethyl)phenyl)-pentan-1-one O-(2-aminoethyl) oxime Tox21_110837 AB00514702 BC226180 CAS-54739-18-3 D07984 I01-8382 NCGC00018193-04 O4L1XPO44W 1-Pentanone, 5-methoxy-1-(4-(trifluoromethyl)phenyl)-, O-(2-aminoethyl)oxime, (E)- ZINC12466082 917096-37-8 AC1Q4JNU BPBio1_001199 CHEBI:5138 DSSTox_RID_80097 Dumyrox fluvoxamine-CR LS-101999 NCGC00018193-07 (1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-one O-(2-aminoethyl)oxime Prestwick3_000995 39F183 AB00513735_05 AS-15332 C07571 CS-1840 Fluvoxamina FVX Maveral NCGC00021870-04 (E)-5-Methoxy-1-(4-(trifluoromethyl)phenyl)pentan-1-one O-(2-aminoethyl)oxime Tox21_110837_1 54739-18-3 AC-1679 BDBM50028091 CC-28527 DSSTox_CID_24002 Fluvoxamine (INN) KB-209259 NCGC00018193-05 O893 2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine A830353 AKOS016003882 BRD-K53517854-050-03-2 DTXSID2044002 [ Show all ]
Inchi Key	CJOFXWAVKWHTFT-XSFVSMFZSA-N
Inchi ID	InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+
PubChem CID	5324346
ChEMBL	CHEMBL814
IUPHAR	N/A
BindingDB	50028091
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	PMID10379421	BindingDB

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