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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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Go to the ligand page and check other GPCRs which it interacts with.
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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	633283-39-3
Molecular formula	C17H16ClN3OS
IUPAC name	3-amino-N-[(4-chlorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
Molecular weight	345.845
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	4.6
Synonyms	f-LIGRLO-NH2 RT-016241 VU10010 3-amino-N-(4-chlorobenzyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide B7285 CHEMBL1212994 KB-81468 SR-01000147542-1 2-Fly D0N2VN MolPort-002-722-568 VU-10010 2-Furoyl-LIGRLO-amide trifluoroacetate salt, >=97% (HPLC) AC1LEM0C FPRULFHDSFKYBV-UHFFFAOYSA-N SMR001398666 ZINC109066 2-f-LIGRLO-NH2 3-Amino-N-(4-chlorobenzyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide 2,2,2-trifluoroacetate BDBM50323691 cid_714286 MCULE-8947006791 STL227650 2-Furoyl-Leu-Ile-Gly-Arg-Leu-Orn-NH2 trifluoroacetate salt DTXSID30351931 NCGC00378784-01 VU0402469-1 2fLI AKOS000282930 HMS3431D09 SR-01000147542 2-fAP 3-amino-N-[(4-chlorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide CTK5B8654 MLS002474501 VU 10010 2-Furoyl-LIGRLO-amide trifluoroacetate salt A3274/0139289 [ Show all ]
Inchi Key	FPRULFHDSFKYBV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H16ClN3OS/c1-9-7-10(2)21-17-13(9)14(19)15(23-17)16(22)20-8-11-3-5-12(18)6-4-11/h3-7H,8,19H2,1-2H3,(H,20,22)
PubChem CID	714286
ChEMBL	CHEMBL1212994
IUPHAR	N/A
BindingDB	50323691
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	36.9 %	PMID18059262	ChEMBL
Activity	42.7 %	PMID18059262	ChEMBL
Activity	43.0 %	PMID18059262	ChEMBL
Activity	60.5 %	PMID18059262	ChEMBL
Activity	98.5 %	PMID18059262	ChEMBL
Activity	107.9 %	PMID18059262	ChEMBL
EC50	0.000339 nM	N/A	BindingDB
EC50	400.0 nM	PMID18059262	BindingDB,ChEMBL
FC	14.0 -	PMID18059262	ChEMBL
FC	47.0 -	PMID18059262	ChEMBL
Inhibition	10.9 %	PMID18059262	ChEMBL
Inhibition	16.1 %	PMID18059262	ChEMBL
Inhibition	61.7 %	PMID18059262	ChEMBL
Inhibition	62.2 %	PMID18059262	ChEMBL

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