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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	CHEMBL3329755
Molecular formula	C23H25F3N4O3S
IUPAC name	N-ethyl-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
Molecular weight	494.533
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	3.4
Synonyms	ML-380 BDBM50023229 D0Z6VT ML380 GTPL8687 VU0481443-3 [ Show all ]
Inchi Key	FJPQEOQGIZSLES-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H25F3N4O3S/c1-2-29(15-17-5-3-4-6-20(17)23(24,25)26)22(31)16-9-11-30(12-10-16)34(32,33)19-7-8-21-18(13-19)14-27-28-21/h3-8,13-14,16H,2,9-12,15H2,1H3,(H,27,28)
PubChem CID	71737672
ChEMBL	CHEMBL3329755
IUPHAR	8687
BindingDB	50023229
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
444860	Cannabinoid receptor 1	P21554	CNR1	Homo sapiens (Human)	472
444852	Muscarinic acetylcholine receptor M1	P11229	CHRM1	Homo sapiens (Human)	460
444857	Muscarinic acetylcholine receptor M1	P08482	Chrm1	Rattus norvegicus (Rat)	460
444851	Muscarinic acetylcholine receptor M2	P08172	CHRM2	Homo sapiens (Human)	466
444859	Muscarinic acetylcholine receptor M2	P10980	Chrm2	Rattus norvegicus (Rat)	466
444854	Muscarinic acetylcholine receptor M3	P20309	CHRM3	Homo sapiens (Human)	590
444855	Muscarinic acetylcholine receptor M3	P08483	Chrm3	Rattus norvegicus (Rat)	589
444856	Muscarinic acetylcholine receptor M4	P08485	Chrm4	Rattus norvegicus (Rat)	478
444858	Muscarinic acetylcholine receptor M4	P08173	CHRM4	Homo sapiens (Human)	479
79951	Muscarinic acetylcholine receptor M5	P08912	CHRM5	Homo sapiens (Human)	532
444853	Muscarinic acetylcholine receptor M5	P08911	Chrm5	Rattus norvegicus (Rat)	531

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