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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	CHEMBL2111540
Molecular formula	C25H31N3O2S
IUPAC name	2-(4-cyclohexylpiperazin-1-yl)-2-[4-[(S)-(4-methoxyphenyl)sulfinyl]phenyl]acetonitrile
Molecular weight	437.602
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	4.1
Synonyms	BDBM50451110 SCHEMBL16181622
Inchi Key	BFELQLHLUNQIHL-KHTLXAHUSA-N
Inchi ID	InChI=1S/C25H31N3O2S/c1-30-22-9-13-24(14-10-22)31(29)23-11-7-20(8-12-23)25(19-26)28-17-15-27(16-18-28)21-5-3-2-4-6-21/h7-14,21,25H,2-6,15-18H2,1H3/t25?,31-/m0/s1
PubChem CID	9889312
ChEMBL	CHEMBL2111540
IUPHAR	N/A
BindingDB	50451110
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
22241	Muscarinic acetylcholine receptor M1	P11229	CHRM1	Homo sapiens (Human)	460
22240	Muscarinic acetylcholine receptor M2	P08172	CHRM2	Homo sapiens (Human)	466
22242	Muscarinic acetylcholine receptor M3	P20309	CHRM3	Homo sapiens (Human)	590
22243	Muscarinic acetylcholine receptor M4	P08173	CHRM4	Homo sapiens (Human)	479
22244	Muscarinic acetylcholine receptor M5	P08912	CHRM5	Homo sapiens (Human)	532

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