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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	CHEMBL208787
Molecular formula	C30H35N3O4
IUPAC name	(2R)-2-(1-benzofuran-5-yl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-ylacetamide
Molecular weight	501.627
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	5.1
Synonyms	(2R)-2-(1-benzofuran-5-yl)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)-2,5-dioxo-1-piperazinyl]-N-(1-methylethyl)ethanamide BDBM50190529 SCHEMBL3925644
Inchi Key	DIHNBIJLWDSARE-ZRJLEYOISA-N
Inchi ID	InChI=1S/C30H35N3O4/c1-17(2)13-24-28(34)32-26(23-14-19-7-5-6-8-20(19)15-23)30(36)33(24)27(29(35)31-18(3)4)22-9-10-25-21(16-22)11-12-37-25/h5-12,16-18,23-24,26-27H,13-15H2,1-4H3,(H,31,35)(H,32,34)/t24-,26-,27-/m1/s1
PubChem CID	11488952
ChEMBL	CHEMBL208787
IUPHAR	N/A
BindingDB	N/A
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
60747	Oxytocin receptor	P70536	Oxtr	Rattus norvegicus (Rat)	388
60749	Oxytocin receptor	P30559	OXTR	Homo sapiens (Human)	389
60750	Vasopressin V1a receptor	P37288	AVPR1A	Homo sapiens (Human)	418
60751	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424
60748	Vasopressin V2 receptor	P30518	AVPR2	Homo sapiens (Human)	371

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