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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	pilocarpine
Molecular formula	C11H16N2O2
IUPAC name	(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one
Molecular weight	208.261
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	1.1
Synonyms	SR-01000075339-11 ZINC75008 2(3H)-Furanone, 3-ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-, (3S-cis)- NCGC00023339-12 AB00053525-27 Ocusert AKOS016010311 Pilocarpin BPBio1_000548 Pilocarpine [USAN:BAN:JAN] CHEBI:8207 Piloptic-1 DivK1c_000358 Prestwick1_000449 HMS2089K17 Scheinpharm (TN) KB-207616 Lopac0_000950 (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one Miocarpine (TN) Spectrum3_000546 Timpilo (TN) NCGC00023339-07 3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one NCGC00023339-16 AC1L1LEF Ocusert pilo-20 AN-42585 Pilocarpine (TN) BSPBio_000498 Pilocarpine-d3 HCl (deuterated) D00525 Piloptic-3 DSSTox_RID_75984 QCHFTSOMWOSFHM-WPRPVWTQSA-N Imidazole-5-butyric acid, alpha-ethyl-beta-(hydroxymethyl)-1-methyl-, gamma-lactone SPBio_001287 KBio2_004155 (+)-Pilocarpine LS-7661 (3S-cis)-3-Ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-2(3H)-furanone Spectrum_001107 Tox21_110887_1 092P137 NCGC00023339-10 91484-73-0 NSC5746 AK116461 P.V. Carpine Liquifilm beta-Pilocarpine hydrochloride Pilocarpine Mononitrate, (3S-cis)-Isomer CAS-92-13-7 Pilokarpol DB01085 Pilostat Epicar SBB012409 Isopto carpine (TN) KBioGR_000956 (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]oxolan-2-one Minims Pilocarpine ST069319 2(3H)-Furanone, 3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-, (3S,4R)- NCGC00023339-13 AB00053525_28 Ocusert P 20 Almocarpine BRD-K85090592-008-05-2 Pilocarpine [USP:BAN:JAN] Piloptic-1/2 DSSTox_CID_1162 Prestwick2_000449 HSDB 3163 SCHEMBL15146 KBio1_000358 Lopac0_000960 (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]tetrahydrofuran-2-one NCGC00023339-03 Spectrum4_000478 Tocris-0694 NCGC00023339-08 NCI60_004403 Adsorbocarpine Ocusert pilo-20 (TN) AX8148055 Pilocarpine chloride BSPBio_002191 Pilocarpol D06HLY Piloptic-4 DTXSID1021162 Salagen isopilocarpine SPBio_002437 KBio2_006723 (3S,4R)-3-Ethyl-4-((1-methyl-1H-imidazol-5-yl)methyl)dihydrofuran-2(3H)-one MCULE-2634151840 (3S-cis)-3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-2(3H)-furanone Spersacarpine UNII-01MI4Q9DI3 2(3H)-Furanone, 3-ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-, (3S,4R)- NCGC00023339-11 92-13-7 Ocu-Carpine Akarpine Pilagan BIDD:GT0217 Pilocarpine nitrate salt CCG-205031 Pilopine HS (TN) Diocarpine (TN) Prestwick0_000449 GTPL305 SBI-0050924.P004 Isoptocarpine KBioSS_001587 (3S,4R)-3-ethyl-4-[(1-methylimidazol-5-yl)methyl]-3,4,5-trihydrofuran-2-one Miocarpine Syncarpine NCGC00023339-06 3-Ethyl-4-(3-methyl-3H-imidazol-4-ylmethyl)dihydrofuran-2-one NCGC00023339-14 AB00053525_29 Ocusert pilo Amistura P Pilocarpine (JAN/USP) BRD-K85090592-008-15-1 Pilocarpine, Monohydrochloride, (3S-cis)-Isomer CHEMBL550 Piloptic-2 DSSTox_GSID_21162 Prestwick3_000449 IDI1_000358 SDCCGMLS-0003164.P005 KBio2_001587 LS-187208 (3S,4R)-3-ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-2(3H)-furanone Spectrum5_001379 Tox21_110887 NCGC00023339-09 NINDS_000358 AI3-50523 Ocusert Pilo-40 BDBM50008072 Pilocarpine monohydrochloride C07474 Pilokarpin Piloptic-6 EINECS 202-128-4 Salagen (TN) Isopto carpine Spectrum2_001284 KBio3_001691 (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one Mi-Pilo 01MI4Q9DI3 [ Show all ]
Inchi Key	QCHFTSOMWOSFHM-WPRPVWTQSA-N
Inchi ID	InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1
PubChem CID	5910
ChEMBL	CHEMBL550
IUPHAR	305
BindingDB	50008072
DrugBank	DB01085
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
EC50	17.5 nM	PMID25765911	ChEMBL
EC50	18.0 nM	PMID25765911	BindingDB
EC50	831.76 nM	PMID25478907	ChEMBL
EC50	832.0 nM	PMID25478907	BindingDB
EC50	8792.0 nM	PMID9873644	BindingDB,ChEMBL
Efficacy	102.0 %	PMID25765911	ChEMBL
Emax	69.0 %	PMID25478907	ChEMBL
Kd	2691.53 nM	PMID25478907	ChEMBL
Kd	2692.0 nM	PMID25478907	BindingDB
Ki	12.0 nM	PMID1704434	BindingDB
Ki	6606.93 nM	PMID18182302	ChEMBL
Ki	7943.0 nM	PMID25478907	BindingDB
Ki	7943.28 nM	PMID25478907	ChEMBL
Ki	7943.28 nM	PMID9224827	IUPHAR
Max PI	27.0 %	PMID9873644	ChEMBL
Max PI	52.0 %	PMID9873644	ChEMBL

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