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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	CHEMBL1779235
Molecular formula	C26H33N3O5S
IUPAC name	1-(1,4-diazepan-1-yl)-2-[5-methoxy-1-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2-methylindol-3-yl]ethanone
Molecular weight	499.626
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.4
Synonyms	BDBM50345082 1-(1,4-diazepan-1-yl)-2-(5-methoxy-1-(4-methoxy-2,3-dimethylphenylsulfonyl)-2-methyl-1H-indol-3-yl)ethanone
Inchi Key	AVRCSHYHSGCUCL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H33N3O5S/c1-17-18(2)25(10-9-24(17)34-5)35(31,32)29-19(3)21(22-15-20(33-4)7-8-23(22)29)16-26(30)28-13-6-11-27-12-14-28/h7-10,15,27H,6,11-14,16H2,1-5H3
PubChem CID	53358903
ChEMBL	CHEMBL1779235
IUPHAR	N/A
BindingDB	50345082
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
15573	Oxytocin receptor	P30559	OXTR	Homo sapiens (Human)	389
15572	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424

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