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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	3,3'-Difluorobenzaldazine
Molecular formula	C14H10F2N2
IUPAC name	(E)-1-(3-fluorophenyl)-N-[(E)-(3-fluorophenyl)methylideneamino]methanimine
Molecular weight	244.245
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.5
Synonyms	MolPort-003-940-930 SCHEMBL12497017 1-(3-fluorophenyl)-N-[(E)-(3-fluorophenyl)methylideneamino]methanimine BDBM50156074 CHEMBL371811 DFB, >=98% (HPLC), solid NCGC00025238-03 Tox21_500843 3,3 inverted exclamation marka-Difluorobenzaldazine BRD-K23623876-001-01-6 KB-76455 NCGC00261528-01 [(3-Fluorophenyl)methylene]hydrazone-3-fluorobenzaldehyde AC1O7H0M CHEBI:92414 N,N''''-Bis-[1-(3-fluoro-phenyl)-meth-(E)-ylidene]-hydrazine SR-01000597595 Benzaldehyde,3-fluoro-, 2-[(3-fluorophenyl)methylene]hydrazone D0F9QY HMS3262J07 NCGC00025238-04 VZ25360 C-14798 MFCD03653615 SCHEMBL12017614 1,2-Bis(3-Fluorobenzylidene)Hydrazine AKOS024456711 NCGC00025238-02 SR-01000597595-1 15332-10-2 bis(3-fluorobenzylidene)hydrazine DFB J-009001 NCGC00025238-05 ZINC13719901 CCG-222147 [ Show all ]
Inchi Key	YYMCVDNIIFNDJK-BEQMOXJMSA-N
Inchi ID	InChI=1S/C14H10F2N2/c15-13-5-1-3-11(7-13)9-17-18-10-12-4-2-6-14(16)8-12/h1-10H/b17-9+,18-10+
PubChem CID	6604893
ChEMBL	CHEMBL371811
IUPHAR	1424
BindingDB	50156074
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	2600.0 nM	PMID25180768	BindingDB,ChEMBL

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