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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	VU0152100
Molecular formula	C18H19N3O2S
IUPAC name	3-amino-N-[(4-methoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
Molecular weight	341.429
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.9
Synonyms	DTXSID40357702 ML108 VU 152100 3-azanyl-N-[(4-methoxyphenyl)methyl]-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxamide BCP27623 CHEMBL1978713 KB-81469 Oprea1_056792 VU0152100, >=98% (HPLC) 3-Amino-N-(4-methoxybenzyl)-4,6-dimethylthieno[2,3-b]pyridine carboxamide 4155AH CTK8G3776 MCULE-8991282071 ST082340 ZINC420976 3-amino-N-[(4-methoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide AKOS024285191 GTPL3263 MolPort-000-013-635 VU-0152100 (3-amino-4,6-dimethylthiopheno[2,3-b]pyridin-2-yl)-N-[(4-methoxyphenyl)methyl] carboxamide BDBM48043 cid_864492 Kinome_1269 Oprea1_693584 VU0152100-1 3-amino-N-[(4-methoxyphenyl)methyl]-4,6-dimethyl-2-thieno[2,3-b]pyridinecarboxamide D0K3HY ML 108 VU 0152100 3-amino-N-[(4-methoxyphenyl)methyl]-4,6-dimethylthieno[5,4-b]pyridine-2-carboxamide ASN 02869380 HY-13340 NCGC00370898-03 3-amino-4,6-dimethyl-N-p-anisyl-thieno[2,3-b]pyridine-2-carboxamide 409351-28-6 CS-1727 KS-0000004R SCHEMBL18293046 VU152100 3-Amino-N-[(4-methoxyphenyl)methyl]-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxamide AC1LHK0V [ Show all ]
Inchi Key	MDNWGCQSCGNTKH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H19N3O2S/c1-10-8-11(2)21-18-14(10)15(19)16(24-18)17(22)20-9-12-4-6-13(23-3)7-5-12/h4-8H,9,19H2,1-3H3,(H,20,22)
PubChem CID	864492
ChEMBL	CHEMBL1978713
IUPHAR	3263
BindingDB	48043
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	8.71e-05 nM	N/A	BindingDB
EC50	0.000388 nM	N/A	BindingDB
EC50	0.000429 nM	N/A	BindingDB
EC50	230.0 nM	PMID23177787	BindingDB,ChEMBL
EC50	380.0 nM	PMID18772318	IUPHAR
Ki	2.88e-05 nM	N/A	BindingDB

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