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GPCR

Name	Muscarinic acetylcholine receptor M4
Species	Homo sapiens (Human)
Gene	CHRM4
Synonym	HM3 M4 receptor cholinergic receptor Chrm-4 cholinergic receptor, muscarinic 4
Disease	Produce mydriasis and cycloplegia for diagnostic purposes Hypertension Irritable bowel syndrome Moderate and severe psychomotor agitation Mydriasis diagnosis Nausea; Vomiting; Emesis Organophosphate poisoning Overactive bladder disorder; Spasm Parkinson's disease Urinary retention Peptic ulcer Peptic ulcer disease; Irritable bowel syndrome; Pancreatitis; Gastritis Solid tumours Peptic ulcer; Gastrointestinal disease Peptic ulcer; Uveitis Glaucoma Gastrointestinal disease Bronchodilator Poison intoxication Chronic obstructive pulmonary disease Cough Central and peripheral nervous diseases Depression Alzheimer disease Dysuria; Urgency; Nocturia; Suprapubic pain Gastric motility disorder; Spasm Acquired nystagmus [ Show all ]
Length	479
Amino acid sequence	MANFTPVNGSSGNQSVRLVTSSSHNRYETVEMVFIATVTGSLSLVTVVGNILVMLSIKVNRQLQTVNNYFLFSLACADLIIGAFSMNLYTVYIIKGYWPLGAVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPARRTTKMAGLMIAAAWVLSFVLWAPAILFWQFVVGKRTVPDNQCFIQFLSNPAVTFGTAIAAFYLPVVIMTVLYIHISLASRSRVHKHRPEGPKEKKAKTLAFLKSPLMKQSVKKPPPGEAAREELRNGKLEEAPPPALPPPPRPVADKDTSNESSSGSATQNTKERPATELSTTEATTPAMPAPPLQPRALNPASRWSKIQIVTKQTGNECVTAIEIVPATPAGMRPAANVARKFASIARNQVRKKRQMAARERKVTRTIFAILLAFILTWTPYNVMVLVNTFCQSCIPDTVWSIGYWLCYVNSTINPACYALCNATFKKTFRHLLLCQYRNIGTAR
UniProt	P08173
Protein Data Bank	5dsg
GPCR-HGmod model	P08173
3D structure model	This structure is from PDB ID 5dsg.
BioLiP	BL0339919,BL0339921, BL0339920
Therapeutic Target Database	T20709, T50918
ChEMBL	CHEMBL1821
IUPHAR	16
DrugBank	BE0000405

Ligand

Name	Genostrychnine
Molecular formula	C21H22N2O3
IUPAC name	(4aR,5aS,8aS,13aS,15aS,15bR)-6-oxido-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-6-ium-14-one
Molecular weight	350.418
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	1.4
Synonyms	MLS000738032 SMR000393707 Strychnine, 19-oxide ZINC4214344 ALKALOIDS, N.O.S. NSC 24951 strychnine 19-oxide Strychnine, N6-oxide 2-27-00-00739 (Beilstein Handbook Reference) NSC127569 Strychnine N6-oxide Strychnine_N_Oxide AC1L2JS1 N-Oxystrychnine Strychnidin-10-one, 19-oxide Strychnine, N(sup 6)-oxide (1S,11S,18S,20R,21R,22S)-12-oxa-8,17-diazaheptacyclo[15.5.2.0(1,18).0(2,7).0(8,22).0(11,21).0(15,20)]tetracosa-2,4,6,14-tetraen-9-one 17-oxide BRN 0102320 NSC-127569 strychnine N(6)-oxide Strychnine, Nb-oxide 7248-28-4 CHEMBL138585 LS-147145 NSC24951 STRYCHNINE SALTS UNII-774C760V46 AC1Q225V NSC 127569 Strychnin-N6-oxide Strychnine, N-oxide (4bs,7as,8ar,12as,12br,12cs)-6,7,7a,8,8a,11,12a,12b,12c,13-decahydro-5h,14h-7,9-methano-12-oxa-7,14a-diazacyclohepta[1,2,3-cd]cyclopenta[g]fluoranthen-14-one 7-oxide CHEBI:132703 EINECS 230-656-5 NSC-24951 Strychnine N-oxide Strychnine-N-oxide 774C760V46 [ Show all ]
Inchi Key	ADTDBAKUQAKBGZ-VXJIXCKJSA-N
Inchi ID	InChI=1S/C21H22N2O3/c24-18-10-16-19-13-9-17-21(6-7-23(17,25)11-12(13)5-8-26-16)14-3-1-2-4-15(14)22(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+,23?/m0/s1
PubChem CID	73393
ChEMBL	CHEMBL138585
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Affinity	>3.8 -	PMID9986715	ChEMBL
Affinity	4.1 -	PMID9986715	ChEMBL
Cooperativity	0.8 -	PMID9986715	ChEMBL
Cooperativity	2.0 -	PMID9986715	ChEMBL

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