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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	CHEMBL134543
Molecular formula	C28H30N2O3S
IUPAC name	11-[2-(4-benzylpiperazin-1-yl)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid
Molecular weight	474.619
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.2
Synonyms	L003055 SCHEMBL9316554 6,11-Dihydro-11-[[2-(4-benzylpiperazin-1-yl)ethyl]thio]dibenz[b,e]oxepin-2-carboxylic acid 11-[2-(4-Benzyl-piperazin-1-yl)-ethylsulfanyl]-6,11-dihydro-dibenzo[b,e]oxepine-2-carboxylic acid BDBM50040112
Inchi Key	AAGQTOSVLSYVDV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H30N2O3S/c31-28(32)22-10-11-26-25(18-22)27(24-9-5-4-8-23(24)20-33-26)34-17-16-29-12-14-30(15-13-29)19-21-6-2-1-3-7-21/h1-11,18,27H,12-17,19-20H2,(H,31,32)
PubChem CID	10344845
ChEMBL	CHEMBL134543
IUPHAR	N/A
BindingDB	50040112
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
190	Histamine H1 receptor	P31389	HRH1	Cavia porcellus (Guinea pig)	488

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