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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	1-(4-Bromobenzyl)indole-2,3-dione
Molecular formula	C15H10BrNO2
IUPAC name	1-[(4-bromophenyl)methyl]indole-2,3-dione
Molecular weight	316.154
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	2.8
Synonyms	1-[(4-bromophenyl)methyl]indole-2,3-dione AH-034/08903023 EN300-70451 SR-01000395993 ZINC2454837 CCG-198352 K015-0020 STK215777 1-(4-bromobenzyl)-1H-indole-2,3-dione 1-[(4-bromophenyl)methyl]-2,3-dihydro-1H-indole-2,3-dione AC1MHO09 cid_3008304 NE20417 VU0119498 1-[(4-bromophenyl)methyl]indoline-2,3-dione AKOS000245456 EU-0067620 SR-01000395993-1 MCULE-6184534031 VU 0119498 1-[(4-bromophenyl)methyl]benzo[d]azolidine-2,3-dione AC1Q24VD D0JV2S SCHEMBL5430888 VU0119498-2 1H-Indole-2,3-dione, 1-[(4-bromophenyl)methyl]- BDBM50258439 GTPL7632 ST50892639 79183-37-2 CHEMBL523685 MolPort-002-341-984 VU-0119498 1-(4-bromobenzyl)indoline-2,3-dione [ Show all ]
Inchi Key	DELLOEULSHGYCG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H10BrNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2
PubChem CID	3008304
ChEMBL	CHEMBL523685
IUPHAR	7632
BindingDB	50258439
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	6000.0 nM	PMID22148748	BindingDB,ChEMBL
EC50	6040.0 nM	PMID19438238	IUPHAR
EC50	6100.0 nM	PMID20801651	BindingDB,ChEMBL
Emax	82.0 %	PMID22148748	ChEMBL

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