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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	Pecazine
Molecular formula	C19H22N2S
IUPAC name	10-[(1-methylpiperidin-3-yl)methyl]phenothiazine
Molecular weight	310.459
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	5.6
Synonyms	AI3-50131 CBHCDHNUZWWAPP-UHFFFAOYSA-N DSSTox_RID_81408 mepasin MPMP Pacatal Base Pecazinum STK386548 1'-{[2-methyl-3-(morpholin-4-ylcarbonyl)-4H-thieno[3,2-b]pyrrol-5-yl]carbonyl}-1,4'-bipiperidine 10-[(1-methylpiperidin-3-yl)methyl]phenothiazine BAS 01176610 GTPL9782 Mepazine Base Nothiazine Pecatal Phenothiazine, 10-[(1-methyl-3-piperidyl)methyl]- 10-(1-Methyl-piperidin-3-ylmethyl)-10H-phenothiazine 2975-36-2 (mono-hydrochloride) AC1L1LQX CAS-60-89-9 DSSTox_CID_26177 LS-105610 MLS006011657 P 391 SCHEMBL149976 10-[(1-Methyl-3-piperidyl)-methyl]-phenothiazin AKOS000280691 CCG-108581 DTXSID2046177 Mepazin NCGC00160480-01 Pacatol Pecazinum [INN-Latin] Tox21_111842 10-((1-Methyl-3-piperidyl)methyl)phenothiazine 10H-Phenothiazine, 10-((1-methyl-3-piperidinyl)methyl)- BDBM50177661 CHEMBL395110 III-2318 Meprazine Oprea1_067080 Pecazina Probes1_000237 10-(1-Methylpiperidyl-3-methyl)phenothiazine 60-89-9 AC1Q7G4S CBDivE_007551 DSSTox_GSID_46177 MCULE-4399173403 MolPort-001-727-944 Pacatal Pecazine [INN:BAN] SMR004703409 (N-Methyl-3-piperidyl)methylphenothiazine 10-[(1-Methyl-3-piperidyl)methyl]phenothiazine AKOS021820849 CHEBI:135324 EINECS 200-490-8 MEPAZINE NCIOpen2_008134 Pakatal Phenothiazine, 10-((1-methyl-3-piperidyl)methyl)- US9504692, Mepezine 10-(1-Methyl-3-piperidyl)methyl phenothiazine 10H-Phenothiazine, 10-[(1-methyl-3-piperidinyl)methyl]- AB00275848-07 BRD-A82772293-001-01-6 CTK1A4018 Lacumin Mesapin Oprea1_208564 Pecazina [INN-Spanish] Probes2_000278 10-[(1-Methyl-3-piperidinyl)methyl]-10H-phenothiazine # [ Show all ]
Inchi Key	CBHCDHNUZWWAPP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H22N2S/c1-20-12-6-7-15(13-20)14-21-16-8-2-4-10-18(16)22-19-11-5-3-9-17(19)21/h2-5,8-11,15H,6-7,12-14H2,1H3
PubChem CID	6075
ChEMBL	CHEMBL395110
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	79.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	19.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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