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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	CHEMBL221683
Molecular formula	C35H46Cl2N5O5S+
IUPAC name	[4-[4-[1-[[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]cyclopentanecarbonyl]piperazin-1-yl]-4-oxobutyl]-trimethylazanium
Molecular weight	719.743
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.8
Synonyms	BDBM50411269 SCHEMBL4245692
Inchi Key	FITBAVZSOSBRLL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C35H46Cl2N5O5S/c1-24-22-25(2)38-33-26(24)10-8-11-29(33)47-23-27-28(36)13-14-30(32(27)37)48(45,46)39-35(15-6-7-16-35)34(44)41-19-17-40(18-20-41)31(43)12-9-21-42(3,4)5/h8,10-11,13-14,22,39H,6-7,9,12,15-21,23H2,1-5H3/q+1
PubChem CID	10396101
ChEMBL	CHEMBL221683
IUPHAR	N/A
BindingDB	50411269
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
79376	B1 bradykinin receptor	P46663	BDKRB1	Homo sapiens (Human)	353
79374	B2 bradykinin receptor	P30411	BDKRB2	Homo sapiens (Human)	391
79375	B2 bradykinin receptor	O70526	BDKRB2	Cavia porcellus (Guinea pig)	372

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