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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	CHEMBL1940543
Molecular formula	C34H40N4O3S
IUPAC name	[(1S,2S,4R)-4-[[1-(4-methoxyphenyl)cyclobutyl]amino]-2-thiophen-3-ylcyclohexyl]-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]methanone
Molecular weight	584.779
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	5.9
Synonyms	BDBM50362409
Inchi Key	XHHVRKUFLGSPRF-XNFLFYSQSA-N
Inchi ID	InChI=1S/C34H40N4O3S/c1-23-4-11-31-30(20-23)35-33(41-31)38-17-15-37(16-18-38)32(39)28-10-7-26(21-29(28)24-12-19-42-22-24)36-34(13-3-14-34)25-5-8-27(40-2)9-6-25/h4-6,8-9,11-12,19-20,22,26,28-29,36H,3,7,10,13-18,21H2,1-2H3/t26-,28+,29-/m1/s1
PubChem CID	57396584
ChEMBL	CHEMBL1940543
IUPHAR	N/A
BindingDB	50362409
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
391862	Neuropeptides B/W receptor type 1	P48145	NPBWR1	Homo sapiens (Human)	328
391863	Neuropeptides B/W receptor type 1	P49681	Npbwr1	Mus musculus (Mouse)	329

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