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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	CHEMBL555403
Molecular formula	C33H32Cl2N4O5
IUPAC name	4-[(E)-3-[[2-[2,4-dichloro-3-[(4-ethoxy-2-methylquinolin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide
Molecular weight	635.542
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	5.7
Synonyms	BDBM50146893 4-{(E)-2-[({[2,4-Dichloro-3-(4-ethoxy-2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide; hydrochloride SCHEMBL8364495 CHEMBL1195824
Inchi Key	CCSPRTPOCFHQQR-LFIBNONCSA-N
Inchi ID	InChI=1S/C33H32Cl2N4O5/c1-5-43-28-17-20(2)38-32-23(28)7-6-8-27(32)44-19-24-25(34)14-15-26(31(24)35)39(4)30(41)18-37-29(40)16-11-21-9-12-22(13-10-21)33(42)36-3/h6-17H,5,18-19H2,1-4H3,(H,36,42)(H,37,40)/b16-11+
PubChem CID	11250929
ChEMBL	CHEMBL1195824
IUPHAR	N/A
BindingDB	50146893
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
38934	B2 bradykinin receptor	P30411	BDKRB2	Homo sapiens (Human)	391

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