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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	CHEMBL455642
Molecular formula	C27H33F3N2O5S
IUPAC name	(2R,3S)-2,3-dihydroxy-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-[3-(trifluoromethyl)phenyl]sulfonylbutanamide
Molecular weight	554.625
Hydrogen bond acceptor	9
Hydrogen bond donor	3
XlogP	3.6
Synonyms	(2R,3S)-2,3-dihydroxy-N-((R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-4-(3-(trifluoromethyl)phenylsulfonyl)butanamide BDBM50244617 SCHEMBL5951036
Inchi Key	ZHUFUDYDQPNLAL-UBFVSLLYSA-N
Inchi ID	InChI=1S/C27H33F3N2O5S/c28-27(29,30)20-7-5-8-21(15-20)38(36,37)17-24(33)25(34)26(35)31-23-9-4-6-19-14-18(10-11-22(19)23)16-32-12-2-1-3-13-32/h5,7-8,10-11,14-15,23-25,33-34H,1-4,6,9,12-13,16-17H2,(H,31,35)/t23-,24-,25-/m1/s1
PubChem CID	11635365
ChEMBL	CHEMBL455642
IUPHAR	N/A
BindingDB	50244617
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
428853	B1 bradykinin receptor	P48748	BDKRB1	Oryctolagus cuniculus (Rabbit)	352
428854	B1 bradykinin receptor	P46663	BDKRB1	Homo sapiens (Human)	353

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