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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	CHEMBL43746
Molecular formula	C31H31Cl2N5O4
IUPAC name	4-[(E)-3-[[2-[2,4-dichloro-3-[(1-ethyl-2-methylbenzimidazol-4-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide
Molecular weight	608.52
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.9
Synonyms	4-{(E)-2-[({[2,4-Dichloro-3-(1-ethyl-2-methyl-1H-benzoimidazol-4-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide BDBM50067306 SCHEMBL8049452
Inchi Key	BYKZZMXPZYHALP-LFIBNONCSA-N
Inchi ID	InChI=1S/C31H31Cl2N5O4/c1-5-38-19(2)36-30-25(38)7-6-8-26(30)42-18-22-23(32)14-15-24(29(22)33)37(4)28(40)17-35-27(39)16-11-20-9-12-21(13-10-20)31(41)34-3/h6-16H,5,17-18H2,1-4H3,(H,34,41)(H,35,39)/b16-11+
PubChem CID	10675204
ChEMBL	CHEMBL43746
IUPHAR	N/A
BindingDB	50067306
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
35885	B2 bradykinin receptor	P30411	BDKRB2	Homo sapiens (Human)	391
35886	B2 bradykinin receptor	O70526	BDKRB2	Cavia porcellus (Guinea pig)	372

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