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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	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	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 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 [ 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	>3.6 -	PMID9986715	ChEMBL
Affinity	3.8 -	PMID9986715	ChEMBL
Cooperativity	0.8 -	PMID9986715	ChEMBL
Cooperativity	2.0 -	PMID9986715	ChEMBL

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