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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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GPCR

Name	Muscarinic acetylcholine receptor M5
Species	Homo sapiens (Human)
Gene	CHRM5
Synonym	M5R M5 receptor cholinergic receptor cholinergic receptor, muscarinic 5
Disease	Urinary incontinence Colitis Dysmenorrhea Irritable bowel syndrome Myasthenia gravis Neurological disease Schizophrenia Stomach ulcer Cognitive disorders Chronic obstructive pulmonary disease Allergic rhinitis Central and peripheral nervous diseases Brain diseases Amnesia [ Show all ]
Length	532
Amino acid sequence	MEGDSYHNATTVNGTPVNHQPLERHRLWEVITIAAVTAVVSLITIVGNVLVMISFKVNSQLKTVNNYYLLSLACADLIIGIFSMNLYTTYILMGRWALGSLACDLWLALDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTPKRAGIMIGLAWLISFILWAPAILCWQYLVGKRTVPLDECQIQFLSEPTITFGTAIAAFYIPVSVMTILYCRIYRETEKRTKDLADLQGSDSVTKAEKRKPAHRALFRSCLRCPRPTLAQRERNQASWSSSRRSTSTTGKPSQATGPSANWAKAEQLTTCSSYPSSEDEDKPATDPVLQVVYKSQGKESPGEEFSAEETEETFVKAETEKSDYDTPNYLLSPAAAHRPKSQKCVAYKFRLVVKADGNQETNNGCHKVKIMPCPFPVAKEPSTKGLNPNPSHQMTKRKRVVLVKERKAAQTLSAILLAFIITWTPYNIMVLVSTFCDKCVPVTLWHLGYWLCYVNSTVNPICYALCNRTFRKTFKMLLLCRWKKKKVEEKLYWQGNSKLP
UniProt	P08912
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	T79961
ChEMBL	CHEMBL2035
IUPHAR	17
DrugBank	BE0000247, BE0004890

Ligand

Name	2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
Molecular formula	C15H17N3
IUPAC name	2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
Molecular weight	239.322
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.1
Synonyms	PF-3246799 PNU-181731A 2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepine D02YNH SCHEMBL1620274 AKOS027383987 PHA-181731A 1065110-62-4 CHEMBL1770373 PNU-57378 5-HT 2 agonists, Pharmacia NCGC00485021-01 ZINC68150324 BDBM50342538 PHA-670080 CZWQBSKNHUVZLI-UHFFFAOYSA-N PNU-57378E [ Show all ]
Inchi Key	CZWQBSKNHUVZLI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
PubChem CID	25070582
ChEMBL	CHEMBL1770373
IUPHAR	N/A
BindingDB	50342538
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	300.0 nM	PMID21195614	BindingDB,ChEMBL

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