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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	CHEMBL117821
Molecular formula	C31H24N2O4
IUPAC name	(11E)-11-[2-[5-[hydroxy(phenyl)methyl]benzimidazol-1-yl]ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylic acid
Molecular weight	488.543
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.8
Synonyms	(E)-11-[2-[5-(alpha-Hydroxybenzyl)-1H-benzimidazol-1-yl]ethylidene]-6,11-dihydrodibenz[b,e]oxepin-2-carboxylic acid BDBM50002818 SCHEMBL9044183 11-{2-[5-(Hydroxy-phenyl-methyl)-benzoimidazol-1-yl]-ethylidene}-6,11-dihydro-dibenzo[b,e]oxepine-2-carboxylic acid (H2O)
Inchi Key	AEKGHOUHXTWVTG-AFUMVMLFSA-N
Inchi ID	InChI=1S/C31H24N2O4/c34-30(20-6-2-1-3-7-20)21-10-12-28-27(17-21)32-19-33(28)15-14-25-24-9-5-4-8-23(24)18-37-29-13-11-22(31(35)36)16-26(25)29/h1-14,16-17,19,30,34H,15,18H2,(H,35,36)/b25-14+
PubChem CID	10480645
ChEMBL	CHEMBL117821
IUPHAR	N/A
BindingDB	50002818
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
3554	Thromboxane A2 receptor	P21731	TBXA2R	Homo sapiens (Human)	343

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