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GLASS

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GPCR

Name	Muscarinic acetylcholine receptor M4
Species	Homo sapiens (Human)
Gene	CHRM4
Synonym	HM3 M4 receptor cholinergic receptor Chrm-4 cholinergic receptor, muscarinic 4
Disease	Produce mydriasis and cycloplegia for diagnostic purposes Hypertension Irritable bowel syndrome Moderate and severe psychomotor agitation Mydriasis diagnosis Nausea; Vomiting; Emesis Organophosphate poisoning Overactive bladder disorder; Spasm Parkinson's disease Urinary retention Peptic ulcer Peptic ulcer disease; Irritable bowel syndrome; Pancreatitis; Gastritis Solid tumours Peptic ulcer; Gastrointestinal disease Peptic ulcer; Uveitis Glaucoma Gastrointestinal disease Bronchodilator Poison intoxication Chronic obstructive pulmonary disease Cough Central and peripheral nervous diseases Depression Alzheimer disease Dysuria; Urgency; Nocturia; Suprapubic pain Gastric motility disorder; Spasm Acquired nystagmus [ Show all ]
Length	479
Amino acid sequence	MANFTPVNGSSGNQSVRLVTSSSHNRYETVEMVFIATVTGSLSLVTVVGNILVMLSIKVNRQLQTVNNYFLFSLACADLIIGAFSMNLYTVYIIKGYWPLGAVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPARRTTKMAGLMIAAAWVLSFVLWAPAILFWQFVVGKRTVPDNQCFIQFLSNPAVTFGTAIAAFYLPVVIMTVLYIHISLASRSRVHKHRPEGPKEKKAKTLAFLKSPLMKQSVKKPPPGEAAREELRNGKLEEAPPPALPPPPRPVADKDTSNESSSGSATQNTKERPATELSTTEATTPAMPAPPLQPRALNPASRWSKIQIVTKQTGNECVTAIEIVPATPAGMRPAANVARKFASIARNQVRKKRQMAARERKVTRTIFAILLAFILTWTPYNVMVLVNTFCQSCIPDTVWSIGYWLCYVNSTINPACYALCNATFKKTFRHLLLCQYRNIGTAR
UniProt	P08173
Protein Data Bank	5dsg
GPCR-HGmod model	P08173
3D structure model	This structure is from PDB ID 5dsg.
BioLiP	BL0339919,BL0339921, BL0339920
Therapeutic Target Database	T20709, T50918
ChEMBL	CHEMBL1821
IUPHAR	16
DrugBank	BE0000405

Ligand

Name	VU0152100
Molecular formula	C18H19N3O2S
IUPAC name	3-amino-N-[(4-methoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
Molecular weight	341.429
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.9
Synonyms	3-amino-N-[(4-methoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide AKOS024285191 CTK8G3776 MCULE-8991282071 ST082340 ZINC420976 BDBM48043 GTPL3263 MolPort-000-013-635 VU-0152100 (3-amino-4,6-dimethylthiopheno[2,3-b]pyridin-2-yl)-N-[(4-methoxyphenyl)methyl] carboxamide 3-amino-N-[(4-methoxyphenyl)methyl]-4,6-dimethyl-2-thieno[2,3-b]pyridinecarboxamide cid_864492 Kinome_1269 Oprea1_693584 VU0152100-1 3-amino-N-[(4-methoxyphenyl)methyl]-4,6-dimethylthieno[5,4-b]pyridine-2-carboxamide ASN 02869380 D0K3HY ML 108 VU 0152100 409351-28-6 HY-13340 NCGC00370898-03 3-amino-4,6-dimethyl-N-p-anisyl-thieno[2,3-b]pyridine-2-carboxamide 3-Amino-N-[(4-methoxyphenyl)methyl]-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxamide AC1LHK0V CS-1727 KS-0000004R SCHEMBL18293046 VU152100 3-azanyl-N-[(4-methoxyphenyl)methyl]-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxamide BCP27623 DTXSID40357702 ML108 VU 152100 4155AH CHEMBL1978713 KB-81469 Oprea1_056792 VU0152100, >=98% (HPLC) 3-Amino-N-(4-methoxybenzyl)-4,6-dimethylthieno[2,3-b]pyridine carboxamide [ Show all ]
Inchi Key	MDNWGCQSCGNTKH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H19N3O2S/c1-10-8-11(2)21-18-14(10)15(19)16(24-18)17(22)20-9-12-4-6-13(23-3)7-5-12/h4-8H,9,19H2,1-3H3,(H,20,22)
PubChem CID	864492
ChEMBL	CHEMBL1978713
IUPHAR	3263
BindingDB	48043
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	520.0 nM	PMID27939174	BindingDB,ChEMBL
EC50	620.0 nM	PMID23177787	BindingDB,ChEMBL
Emax	80.0 %	PMID27939174	ChEMBL

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