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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	CHEMBL1777958
Molecular formula	C29H38N4O4S
IUPAC name	2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
Molecular weight	538.707
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	2.8
Synonyms	BDBM50344100 SCHEMBL4957132 2-((2r)-1-((4-methylphenyl)sulfonyl)-3-oxo-2-piperazinyl)-n-((1r)-6-(1-piperidinylmethyl)-1,2,3,4-tetrahydro-1-naphthalenyl)acetamide
Inchi Key	KOPYHSKMDVXZJU-KAYWLYCHSA-N
Inchi ID	InChI=1S/C29H38N4O4S/c1-21-8-11-24(12-9-21)38(36,37)33-17-14-30-29(35)27(33)19-28(34)31-26-7-5-6-23-18-22(10-13-25(23)26)20-32-15-3-2-4-16-32/h8-13,18,26-27H,2-7,14-17,19-20H2,1H3,(H,30,35)(H,31,34)/t26-,27-/m1/s1
PubChem CID	53248885
ChEMBL	CHEMBL1777958
IUPHAR	N/A
BindingDB	50344100
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
174238	B1 bradykinin receptor	P46663	BDKRB1	Homo sapiens (Human)	353
174239	B1 bradykinin receptor	P48748	BDKRB1	Oryctolagus cuniculus (Rabbit)	352

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