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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Muscarinic acetylcholine receptor M4
Species	Mus musculus (Mouse)
Gene	Chrm4
Synonym	cholinergic receptor cholinergic receptor, muscarinic 4 Chrm-4 HM3 M4 receptor Mm4 mAChR [ Show all ]
Disease	N/A for non-human GPCRs
Length	479
Amino acid sequence	MANFTPVNGSSANQSVRLVTTAHNHLETVEMVFIATVTGSLSLVTVVGNILVMLSIKVNRQLQTVNNYFLFSLACADLIIGAFSMNLYTLYIIKGYWPLGAVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPARRTTKMAGLMIAAAWVLSFVLWAPAILFWQFVVGKRTVPDNQCFIQFLSNPAVTFGTAIAAFYLPVVIMTVLYIHISLASRSRVHKHRPEGPKEKKAKTLAFLKSPLMKPSIKKPPPGGASREELRNGKLEEAPPPALPPPPRPVADKDTSNESSSGSATQNTKERPPTELSTTEAATTPALPAPTLQPRTLNPASKWSKIQIVTKQTGSECVTAIEIVPATPAGMRPAANVARKFASIARNQVRKKRQMAARERKVTRTIFAILLAFILTWTPYNVMVLVNTFCQSCIPERVWSIGYWLCYVNSTINPACYALCNATFKKTFRHLLLCQYRNIGTAR
UniProt	P32211
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	CHEMBL4572
IUPHAR	N/A
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	B7285 f-LIGRLO-NH2 RT-016241 VU10010 3-amino-N-(4-chlorobenzyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide CHEMBL1212994 KB-81468 SR-01000147542-1 2-Fly AC1LEM0C D0N2VN MolPort-002-722-568 VU-10010 2-Furoyl-LIGRLO-amide trifluoroacetate salt, >=97% (HPLC) BDBM50323691 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 cid_714286 MCULE-8947006791 STL227650 2-Furoyl-Leu-Ile-Gly-Arg-Leu-Orn-NH2 trifluoroacetate salt AKOS000282930 DTXSID30351931 NCGC00378784-01 VU0402469-1 2fLI HMS3431D09 SR-01000147542 2-fAP 3-amino-N-[(4-chlorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide A3274/0139289 CTK5B8654 MLS002474501 VU 10010 2-Furoyl-LIGRLO-amide trifluoroacetate salt [ 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	39.8 %	PMID18059262	ChEMBL
Activity	102.5 %	PMID18059262	ChEMBL
Inhibition	18.0 %	PMID18059262	ChEMBL
Inhibition	53.7 %	PMID18059262	ChEMBL
Inhibition	56.0 %	PMID18059262	ChEMBL

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