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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	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	VU0152099
Molecular formula	C18H17N3O3S
IUPAC name	3-amino-N-(1,3-benzodioxol-5-ylmethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
Molecular weight	355.412
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	3.8
Synonyms	STK207844 D0Y1VB MCULE-6171593814 ZINC1472126 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide AC1LTW64 Oprea1_621562 3-amino-N-(benzo[d][1,3]dioxol-5-ylmethyl)-4,6-dimethylthieno[2,3-b]pyridine carboxamide BDBM48044 3-amino-4,6-dimethyl-N-piperonyl-thieno[2,3-b]pyridine-2-carboxamide GTPL3256 MLS002474500 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-4,6-dimethylthieno[5,4-b]pyridine-2-carboxamide AC1Q2P5R SMR001398665 3-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxamide cid_1541501 VU0152099-1 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-4,6-dimethyl-2-thieno[2,3-b]pyridinecarboxamide 612514-42-8 HMS3843E06 MolPort-000-437-290 3-amino-N-(2H-1,3-benzodioxol-5-ylmethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide AKOS002170228 [ Show all ]
Inchi Key	AZOGCTMOKNTHIU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H17N3O3S/c1-9-5-10(2)21-18-14(9)15(19)16(25-18)17(22)20-7-11-3-4-12-13(6-11)24-8-23-12/h3-6H,7-8,19H2,1-2H3,(H,20,22)
PubChem CID	1541501
ChEMBL	N/A
IUPHAR	3256
BindingDB	48044
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	1.42e-13 nM	N/A	BindingDB
EC50	0.000369 nM	N/A	BindingDB
EC50	0.000403 nM	N/A	BindingDB
EC50	403.0 nM	PMID18772318	IUPHAR
Ki	4.68e-14 nM	N/A	BindingDB

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