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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	CHEMBL380273
Molecular formula	C33H44Cl2N6O5S
IUPAC name	N-[1-[4-[(2S)-2-amino-5-(dimethylamino)pentanoyl]piperazin-1-yl]-2-methyl-1-oxopropan-2-yl]-2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]benzenesulfonamide
Molecular weight	707.712
Hydrogen bond acceptor	9
Hydrogen bond donor	2
XlogP	3.9
Synonyms	MEN-15442 SCHEMBL4069480 BDBM50410917
Inchi Key	FWEDCBJKAGZGPE-SANMLTNESA-N
Inchi ID	InChI=1S/C33H44Cl2N6O5S/c1-21-19-22(2)37-30-23(21)9-7-11-27(30)46-20-24-25(34)12-13-28(29(24)35)47(44,45)38-33(3,4)32(43)41-17-15-40(16-18-41)31(42)26(36)10-8-14-39(5)6/h7,9,11-13,19,26,38H,8,10,14-18,20,36H2,1-6H3/t26-/m0/s1
PubChem CID	10101294
ChEMBL	CHEMBL380273
IUPHAR	N/A
BindingDB	50410917
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
88812	B1 bradykinin receptor	P46663	BDKRB1	Homo sapiens (Human)	353
88813	B2 bradykinin receptor	P30411	BDKRB2	Homo sapiens (Human)	391
88814	B2 bradykinin receptor	O70526	BDKRB2	Cavia porcellus (Guinea pig)	372

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