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GPCR

Name	Muscarinic acetylcholine receptor M3
Species	Homo sapiens (Human)
Gene	CHRM3
Synonym	cholinergic receptor cholinergic receptor, muscarinic 3 cholinergic receptor, muscarinic 3, cardiac Chrm-3 HM4 M3 receptor M3R [ Show all ]
Disease	Urinary incontinence Overactive bladder Overactive bladder disorder Postoperative nausea and vomiting Respiratory disease Glaucoma Diagnosing bronchial hyperreactivity Chronic obstructive pulmonary disease Seborrhea Sjogren's syndrome Spasms; Pain Unspecified Alzheimer disease Obstructive lung diseases [ Show all ]
Length	590
Amino acid sequence	MTLHNNSTTSPLFPNISSSWIHSPSDAGLPPGTVTHFGSYNVSRAAGNFSSPDGTTDDPLGGHTVWQVVFIAFLTGILALVTIIGNILVIVSFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLAIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAETENFVHPTGSSRSCSSYELQQQSMKRSNRRKYGRCHFWFTTKSWKPSSEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSETRAIYSIVLKLPGHSTILNSTKLPSSDNLQVPEEELGMVDLERKADKLQAQKSVDDGGSFPKSFSKLPIQLESAVDTAKTSDVNSSVGKSTATLPLSFKEATLAKRFALKTRSQITKRKRMSLVKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTFWNLGYWLCYINSTVNPVCYALCNKTFRTTFKMLLLCQCDKKKRRKQQYQQRQSVIFHKRAPEQAL
UniProt	P20309
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	T67684
ChEMBL	CHEMBL245
IUPHAR	15
DrugBank	BE0000045

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	774C760V46 EINECS 230-656-5 NSC-24951 Strychnine N-oxide Strychnine-N-oxide ALKALOIDS, N.O.S. MLS000738032 SMR000393707 Strychnine, 19-oxide ZINC4214344 2-27-00-00739 (Beilstein Handbook Reference) NSC 24951 strychnine 19-oxide Strychnine, N6-oxide AC1L2JS1 NSC127569 Strychnine N6-oxide Strychnine_N_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 N-Oxystrychnine Strychnidin-10-one, 19-oxide Strychnine, N(sup 6)-oxide 7248-28-4 CHEMBL138585 NSC-127569 strychnine N(6)-oxide Strychnine, Nb-oxide AC1Q225V LS-147145 NSC24951 STRYCHNINE SALTS UNII-774C760V46 (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 NSC 127569 Strychnin-N6-oxide Strychnine, N-oxide [ 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	>3.9 -	PMID9986715	ChEMBL
Affinity	3.9 -	PMID9986715	ChEMBL
Cooperativity	0.8 -	PMID9986715	ChEMBL
Cooperativity	2.0 -	PMID9986715	ChEMBL

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