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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	CHEMBL1956868
Molecular formula	C33H44Cl2N5O5S+
IUPAC name	2-[4-[4-[[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]oxane-4-carbonyl]piperazin-1-yl]ethyl-trimethylazanium
Molecular weight	693.705
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	4.2
Synonyms	CHEMBL1963652 BDBM50419892
Inchi Key	CQMRANUGVLVLSR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C33H44Cl2N5O5S/c1-23-21-24(2)36-31-25(23)7-6-8-28(31)45-22-26-27(34)9-10-29(30(26)35)46(42,43)37-33(11-19-44-20-12-33)32(41)39-15-13-38(14-16-39)17-18-40(3,4)5/h6-10,21,37H,11-20,22H2,1-5H3/q+1
PubChem CID	57391277
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50419892
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
48225	B1 bradykinin receptor	P46663	BDKRB1	Homo sapiens (Human)	353
48226	B2 bradykinin receptor	P30411	BDKRB2	Homo sapiens (Human)	391

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