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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	CHEMBL1940367
Molecular formula	C31H36N4O2S2
IUPAC name	[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[(1S,2S,4R)-4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-2-thiophen-3-ylcyclohexyl]methanone
Molecular weight	560.775
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	5.9
Synonyms	BDBM50362437
Inchi Key	IRJUWAPOHYVOBU-UFLJZRJVSA-N
Inchi ID	InChI=1S/C31H36N4O2S2/c1-21(22-7-10-25(37-2)11-8-22)32-24-9-12-26(27(19-24)23-13-18-38-20-23)30(36)34-14-16-35(17-15-34)31-33-28-5-3-4-6-29(28)39-31/h3-8,10-11,13,18,20-21,24,26-27,32H,9,12,14-17,19H2,1-2H3/t21-,24-,26+,27-/m1/s1
PubChem CID	57400008
ChEMBL	CHEMBL1940367
IUPHAR	N/A
BindingDB	50362437
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
140072	Neuropeptides B/W receptor type 1	P49681	Npbwr1	Mus musculus (Mouse)	329

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