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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	CHEMBL376866
Molecular formula	C35H47Cl2N6O5S+
IUPAC name	[(3S)-3-amino-4-[4-[1-[[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]cyclopentanecarbonyl]piperazin-1-yl]-4-oxobutyl]-trimethylazanium
Molecular weight	734.758
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	4.0
Synonyms	BDBM50411264
Inchi Key	HJPYQPWVTVOICU-NDEPHWFRSA-N
Inchi ID	InChI=1S/C35H47Cl2N6O5S/c1-23-21-24(2)39-32-25(23)9-8-10-29(32)48-22-26-27(36)11-12-30(31(26)37)49(46,47)40-35(14-6-7-15-35)34(45)42-18-16-41(17-19-42)33(44)28(38)13-20-43(3,4)5/h8-12,21,28,40H,6-7,13-20,22,38H2,1-5H3/q+1/t28-/m0/s1
PubChem CID	16105742
ChEMBL	CHEMBL376866
IUPHAR	N/A
BindingDB	50411264
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
116661	B1 bradykinin receptor	P46663	BDKRB1	Homo sapiens (Human)	353
116662	B2 bradykinin receptor	P30411	BDKRB2	Homo sapiens (Human)	391
116663	B2 bradykinin receptor	O70526	BDKRB2	Cavia porcellus (Guinea pig)	372

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