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GPCR

Name	Muscarinic acetylcholine receptor M1
Species	Homo sapiens (Human)
Gene	CHRM1
Synonym	cholinergic receptor cholinergic receptor, muscarinic 1 cholinergic receptor, muscarinic 1, CNS Chrm-1 M1 receptor M1R M1 muscarinic acetylcholine receptor [ Show all ]
Disease	Functional bowel syndrome; Irritable bowel syndrome Glaucoma Peptic ulcer Parkinsonism; Extrapyramidal disorders secondary to neuroleptic drug therapy Visceral spasms Parkinson's disease; Dystonia Parkinson's disease Neurological disease Neuropathic pain Overactive bladder disorder Excessive sweating; Stomach ulcer Cognitive disorders Chronic obstructive pulmonary disease Schizophrenia Schizophrenia; Dementia Schizophrenia; Schizoaffective disorders Unspecified Urinary incontinence Anesthesia Alzheimer disease Abdominal stomach pain; Irritable bowel syndrome [ Show all ]
Length	460
Amino acid sequence	MNTSAPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETENRARELAALQGSETPGKGGGSSSSSERSQPGAEGSPETPPGRCCRCCRAPRLLQAYSWKEEEEEDEGSMESLTSSEGEEPGSEVVIKMPMVDPEAQAPTKQPPRSSPNTVKRPTKKGRDRAGKGQKPRGKEQLAKRKTFSLVKEKKAARTLSAILLAFILTWTPYNIMVLVSTFCKDCVPETLWELGYWLCYVNSTINPMCYALCNKAFRDTFRLLLLCRWDKRRWRKIPKRPGSVHRTPSRQC
UniProt	P11229
Protein Data Bank	5cxv
GPCR-HGmod model	P11229
3D structure model	This structure is from PDB ID 5cxv.
BioLiP	BL0339262, BL0339261, BL0339263
Therapeutic Target Database	T28893
ChEMBL	CHEMBL216
IUPHAR	13
DrugBank	BE0000092

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	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 I01-8382 NCGC00018193-04 O4L1XPO44W Prestwick3_000995 39F183 AB00513735_05 AS-15332 C07571 CS-1840 Dumyrox fluvoxamine-CR LS-101999 NCGC00018193-07 (1E)-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 Fluvoxamina FVX Maveral NCGC00021870-04 (E)-5-Methoxy-1-(4-(trifluoromethyl)phenyl)pentan-1-one O-(2-aminoethyl)oxime 2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine A830353 AKOS016003882 BRD-K53517854-050-03-2 DTXSID2044002 Fluvoxamine (INN) KB-209259 NCGC00018193-05 O893 SCHEMBL33983 5-methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone O-(2-aminoethyl)oxime AB00513735_06 AX8021384 C15H21F3N2O2 D03HFG Faverin Fluvoxaminum Luvox (TN) NCGC00018193-08 (2-aminoethoxy)({5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene})amine UNII-O4L1XPO44W 61718-82-9 (maleate) AC1NT50J BIDD:GT0609 CCG-204586 DSSTox_GSID_44002 Fluvoxamina [INN-Spanish] HY-B0103 MolPort-005-943-374 NCGC00021870-05 (E)-5-Methoxy-4'-(trifluormethyl)valerophenon-O-(2-aminoethyl)oxim 2-[({5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene}amino)oxy]ethanamine AB0016707 AN-5830 BSPBio_001089 CHEMBL814 Dumirox Fluvoxamine [INN:BAN] Lopac0_000495 NCGC00018193-06 Prestwick2_000995 Tox21_110837 AB00514702 BC226180 CAS-54739-18-3 D07984 Floxyfral Fluvoxaminum [INN-Latin] Luvox, Floxyfral NCGC00018193-11 (E)-5-Methoxy-1-(4-(trifluoromethyl)phenyl)-pentan-1-one O-(2-aminoethyl) oxime [ 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	PMID12232544	BindingDB

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