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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	CHEMBL2057417
Molecular formula	C16H15ClN4OS
IUPAC name	3-amino-5-chloro-4,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide
Molecular weight	346.833
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.5
Synonyms	ML253 SMR002528239 MLS003871701 BDBM50423967 VU0448088-5 ML-253 NCGC00386930-01 [ Show all ]
Inchi Key	XNCQMFVABACABG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H15ClN4OS/c1-8-11-13(18)14(23-16(11)21-9(2)12(8)17)15(22)20-7-10-3-5-19-6-4-10/h3-6H,7,18H2,1-2H3,(H,20,22)
PubChem CID	53382523
ChEMBL	CHEMBL2057417
IUPHAR	N/A
BindingDB	50423967
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
396176	Muscarinic acetylcholine receptor M1	P11229	CHRM1	Homo sapiens (Human)	460
396182	Muscarinic acetylcholine receptor M1	P08482	Chrm1	Rattus norvegicus (Rat)	460
396177	Muscarinic acetylcholine receptor M2	P10980	Chrm2	Rattus norvegicus (Rat)	466
396183	Muscarinic acetylcholine receptor M2	P08172	CHRM2	Homo sapiens (Human)	466
396175	Muscarinic acetylcholine receptor M3	P08483	Chrm3	Rattus norvegicus (Rat)	589
396180	Muscarinic acetylcholine receptor M3	P20309	CHRM3	Homo sapiens (Human)	590
396174	Muscarinic acetylcholine receptor M4	P08485	Chrm4	Rattus norvegicus (Rat)	478
396178	Muscarinic acetylcholine receptor M4	P08173	CHRM4	Homo sapiens (Human)	479
396179	Muscarinic acetylcholine receptor M5	P08911	Chrm5	Rattus norvegicus (Rat)	531
396181	Muscarinic acetylcholine receptor M5	P08912	CHRM5	Homo sapiens (Human)	532

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