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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	CHEMBL1940533
Molecular formula	C29H34Cl2N4OS
IUPAC name	[(1S,2S,4R)-4-[2-(4-chlorophenyl)propan-2-ylamino]-2-thiophen-3-ylcyclohexyl]-[4-(5-chloropyridin-2-yl)piperazin-1-yl]methanone
Molecular weight	557.578
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	5.8
Synonyms	BDBM50362423
Inchi Key	PSZLKYAYRISROI-UODIDJSMSA-N
Inchi ID	InChI=1S/C29H34Cl2N4OS/c1-29(2,21-3-5-22(30)6-4-21)33-24-8-9-25(26(17-24)20-11-16-37-19-20)28(36)35-14-12-34(13-15-35)27-10-7-23(31)18-32-27/h3-7,10-11,16,18-19,24-26,33H,8-9,12-15,17H2,1-2H3/t24-,25+,26-/m1/s1
PubChem CID	57394817
ChEMBL	CHEMBL1940533
IUPHAR	N/A
BindingDB	50362423
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
268148	Neuropeptides B/W receptor type 1	P49681	Npbwr1	Mus musculus (Mouse)	329

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