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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	suloctidil
Molecular formula	C20H35NOS
IUPAC name	(1S,2R)-2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol
Molecular weight	337.566
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	5.8
Synonyms	CS-4883 MLS001148124 SCHEMBL13613541 UNII-XV1N1XY17K component BFCDFTHTSVTWOG-YLJYHZDGSA-N (alphaS)-alpha-[(R)-1-(Octylamino)ethyl]-4-[(1-methylethyl)thio]benzenemethanol BRD-K42635745-001-02-4 HMS2096E04 NCGC00022213-03 SR-01000000281-3 (1S,2R)-1-(4-(isopropylthio)phenyl)-2-(octylamino)propan-1-ol AB00383060 CCG-220421 CHEMBL588119 HY-B1237 REGID_for_CID_657255 Suloctidil (USAN/INN) (1S,2R)-2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol BDBM67714 D05967 MLS002222281 SMR000058933 ZINC2561289 (R,S)-4-((1-Methylethyl)thio)-alpha-(1-(octylamino)ethyl)benzenemethanol BRD-K42635745-001-22-2 CHEBI:92751 HMS2230I12 Opera_ID_1631 ST51015124 (1S,2R)-1-[4-(isopropylthio)phenyl]-2-(octylamino)propan-1-ol AC1LCW9C cid_657255 MLS000028666 SBB058183 Suloctidil, analytical standard, for drug analysis (1S,2R)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol BPBio1_000444 GNF-Pf-1859 MLS002695978 SR-01000000281 54767-75-8 BSPBio_000402 HMS3713E04 Prestwick3_000421 (1S,2R)-1-[4-(methylethylthio)phenyl]-2-(octylamino)propan-1-ol AKOS024374991 [ Show all ]
Inchi Key	BFCDFTHTSVTWOG-YLJYHZDGSA-N
Inchi ID	InChI=1S/C20H35NOS/c1-5-6-7-8-9-10-15-21-17(4)20(22)18-11-13-19(14-12-18)23-16(2)3/h11-14,16-17,20-22H,5-10,15H2,1-4H3/t17-,20-/m1/s1
PubChem CID	657255
ChEMBL	CHEMBL588119
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	4561.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	636.1 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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