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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 M4
Species	Rattus norvegicus (Rat)
Gene	Chrm4
Synonym	cholinergic receptor cholinergic receptor, muscarinic 4 Chrm-4 HM3 M4 receptor
Disease	N/A for non-human GPCRs
Length	478
Amino acid sequence	MXNFTPVNGSSANQSVRLVTAAHNHLETVEMVFIATVTGSLSLVTVVGNILVMLSIKVNRQLQTVNNYFLFSLGCADLIIGAFSMNLYTLYIIKGYWPLGAVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPARRTTKMAGLMIAAAWVLSFVLWAPAILFWQFVVGKRTVPDNQCFIQFLSNPAVTFGTAIAAFYLPVVIMTVLYIHISLASRSRVHKHRPEGPKEKKAKTLAFLKSPLMKPSIKKPPPGGASREELRNGKLEEAPPPALPPPPRPVPDKDTSNESSSGSATQNTKERPPTELSTAEATTPALPAPTLQPRTLNPASKWSKIQIVTKQTGNECVTAIEIVPATPAGMRPAANVARKFASIARNQVRKKRQMAARERKVTRTIFAILLAFILTWTPYNVMVLVNTFCQSCIPERVWSIGYWLCYVNSTINPACYALCNATFKKTFRHLLLCQYRNIGTAR
UniProt	P08485
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	CHEMBL317
IUPHAR	16
DrugBank	N/A

Ligand

Name	VU0359480
Molecular formula	C22H18F2N4O2S
IUPAC name	3-amino-N-[(2,5-difluorophenyl)methyl]-4-methyl-6-(pyridin-2-ylmethoxy)thieno[2,3-b]pyridine-2-carboxamide
Molecular weight	440.469
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	4.5
Synonyms	3-amino-N-[(2,5-difluorophenyl)methyl]-4-methyl-6-(pyridin-2-ylmethoxy)thieno[2,3-b]pyridine-2-carboxamide BDBM48075 3-amino-N-(2,5-difluorobenzyl)-4-methyl-6-(2-pyridylmethoxy)thieno[2,3-b]pyridine-2-carboxamide 3-azanyl-N-[[2,5-bis(fluoranyl)phenyl]methyl]-4-methyl-6-(pyridin-2-ylmethoxy)thieno[2,3-b]pyridine-2-carboxamide cid_45142485 3-amino-N-[(2,5-difluorophenyl)methyl]-4-methyl-6-(2-pyridinylmethoxy)-2-thieno[2,3-b]pyridinecarboxamide [ Show all ]
Inchi Key	CUKMKQWVAZBNDY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H18F2N4O2S/c1-12-8-17(30-11-15-4-2-3-7-26-15)28-22-18(12)19(25)20(31-22)21(29)27-10-13-9-14(23)5-6-16(13)24/h2-9H,10-11,25H2,1H3,(H,27,29)
PubChem CID	45142485
ChEMBL	N/A
IUPHAR	N/A
BindingDB	48075
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	10000.0 nM	N/A	BindingDB

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