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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	CHEMBL1940541
Molecular formula	C29H34F3N5O2S2
IUPAC name	[(1S,2S,4R)-4-[[1-(4-methoxyphenyl)cyclobutyl]amino]-2-thiophen-3-ylcyclohexyl]-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone
Molecular weight	605.739
Hydrogen bond acceptor	11
Hydrogen bond donor	1
XlogP	5.1
Synonyms	BDBM50362411
Inchi Key	GGLJTFZSSXJGEQ-YFNKSVMNSA-N
Inchi ID	InChI=1S/C29H34F3N5O2S2/c1-39-22-6-3-20(4-7-22)28(10-2-11-28)33-21-5-8-23(24(17-21)19-9-16-40-18-19)25(38)36-12-14-37(15-13-36)27-35-34-26(41-27)29(30,31)32/h3-4,6-7,9,16,18,21,23-24,33H,2,5,8,10-15,17H2,1H3/t21-,23+,24-/m1/s1
PubChem CID	57396583
ChEMBL	CHEMBL1940541
IUPHAR	N/A
BindingDB	50362411
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. 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
95789	Neuropeptides B/W receptor type 1	P49681	Npbwr1	Mus musculus (Mouse)	329
95790	Neuropeptides B/W receptor type 1	P48145	NPBWR1	Homo sapiens (Human)	328

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