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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	CHEMBL218636
Molecular formula	C38H52Cl2N7O6S+
IUPAC name	[(4S)-5-[4-[1-acetyl-4-[[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]piperidine-4-carbonyl]piperazin-1-yl]-4-amino-5-oxopentyl]-trimethylazanium
Molecular weight	805.837
Hydrogen bond acceptor	9
Hydrogen bond donor	2
XlogP	3.2
Synonyms	BDBM50411254
Inchi Key	CVEVWPJOKBLXPW-HKBQPEDESA-N
Inchi ID	InChI=1S/C38H52Cl2N7O6S/c1-25-23-26(2)42-35-28(25)9-7-11-32(35)53-24-29-30(39)12-13-33(34(29)40)54(51,52)43-38(14-16-44(17-15-38)27(3)48)37(50)46-20-18-45(19-21-46)36(49)31(41)10-8-22-47(4,5)6/h7,9,11-13,23,31,43H,8,10,14-22,24,41H2,1-6H3/q+1/t31-/m0/s1
PubChem CID	16105751
ChEMBL	CHEMBL218636
IUPHAR	N/A
BindingDB	50411254
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
51405	B1 bradykinin receptor	P46663	BDKRB1	Homo sapiens (Human)	353
51404	B2 bradykinin receptor	P30411	BDKRB2	Homo sapiens (Human)	391

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