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GLASS

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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	RS 39604
Molecular formula	C26H36ClN3O6S
IUPAC name	N-[2-[4-[3-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-oxopropyl]piperidin-1-yl]ethyl]methanesulfonamide
Molecular weight	554.099
Hydrogen bond acceptor	9
Hydrogen bond donor	2
XlogP	3.1
Synonyms	0RP0I19CSC BRD-2498 DTXSID0043898 PDSP2_001653 AC1NOXR2 BRD2498 Methanesulfonamide, N-(2-(4-(3-(4-amino-5-chloro-2-((3,5-dimethoxyphenyl)methoxy)phenyl)-3-oxopropyl)-1-piperidinyl)ethyl)- SCHEMBL2946020 Biomol-NT_000149 NCGC00024922-02 ZINC26267226 161362-65-8 BRD-K20742498-001-01-5 GNF-Pf-5475 BDBM82273 CAS_167710-87-4 N-[2-[4-[3-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-oxopropyl]piperidin-1-yl]ethyl]methanesulfonamide Tocris-0991 BPBio1_000573 CHEMBL66114 PDSP1_001669 BRD-K20742498-003-01-1 L011797 RS-39604 beta-[1-[2-(Methylsulfonylamino)ethyl]-4-piperidinyl]-4'-amino-5'-chloro-2'-(3,5-dimethoxybenzyloxy)propiophenone CHEBI:64083 NCGC00024922-01 UNII-0RP0I19CSC [ Show all ]
Inchi Key	BKVIWGRFRKLFIO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H36ClN3O6S/c1-34-20-12-19(13-21(14-20)35-2)17-36-26-16-24(28)23(27)15-22(26)25(31)5-4-18-6-9-30(10-7-18)11-8-29-37(3,32)33/h12-16,18,29H,4-11,17,28H2,1-3H3
PubChem CID	5145950
ChEMBL	CHEMBL66114
IUPHAR	N/A
BindingDB	82273
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1000.0 nM	PMID7582507	BindingDB

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