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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	Rattus norvegicus (Rat)
Gene	Chrm5
Synonym	cholinergic receptor cholinergic receptor, muscarinic 5 M5 receptor M5R
Disease	N/A for non-human GPCRs
Length	531
Amino acid sequence	MEGESYNESTVNGTPVNHQALERHGLWEVITIAVVTAVVSLMTIVGNVLVMISFKVNSQLKTVNNYYLLSLACADLIIGIFSMNLYTTYILMGRWVLGSLACDLWLALDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTPKRAGIMIGLAWLVSFILWAPAILCWQYLVGKRTVPPDECQIQFLSEPTITFGTAIAAFYIPVSVMTILYCRIYRETEKRTKDLADLQGSDSVAEAKKREPAQRTLLRSFFSCPRPSLAQRERNQASWSSSRRSTSTTGKTTQATDLSADWEKAEQVTTCSSYPSSEDEAKPTTDPVFQMVYKSEAKESPGKESNTQETKETVVNTRTENSDYDTPKYFLSPAAAHRLKSQKCVAYKFRLVVKADGTQETNNGCRKVKIMPCSFPVSKDPSTKGPDPNLSHQMTKRKRMVLVKERKAAQTLSAILLAFIITWTPYNIMVLVSTFCDKCVPVTLWHLGYWLCYVNSTINPICYALCNRTFRKTFKLLLLCRWKKKKVEEKLYWQGNSKLP
UniProt	P08911
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL277
IUPHAR	17
DrugBank	N/A

Ligand

Name	CHEMBL6627
Molecular formula	C19H22N2
IUPAC name	2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline
Molecular weight	278.399
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	3.1
Synonyms	(+)-cis-2-Methyl-7-phenyl-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline trans-2-Methyl-7-phenyl-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline BDBM50028290 cis-2-Methyl-7-phenyl-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline (-)-cis-2-Methyl-7-phenyl-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline SCHEMBL10703917 [ Show all ]
Inchi Key	JWDCLQHNIUCQJT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H22N2/c1-20-11-12-21-13-18(15-7-3-2-4-8-15)16-9-5-6-10-17(16)19(21)14-20/h2-10,18-19H,11-14H2,1H3
PubChem CID	10468793
ChEMBL	CHEMBL6627
IUPHAR	N/A
BindingDB	50028290
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	130.0 nM	PMID6747997	BindingDB,ChEMBL
IC50	430.0 nM	PMID6747997	ChEMBL
IC50	7200.0 nM	PMID6747997	BindingDB,ChEMBL
IC50	46000.0 nM	PMID6747997	ChEMBL

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