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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	BDBM81892
Molecular formula	C35H44N6O5
IUPAC name	(1R,10R,13S)-4,13-dibenzyl-16-butan-2-yl-3-methyl-3,6,12,15,18,19-hexazatricyclo[16.4.0.06,10]docos-19-ene-2,5,11,14,17-pentone
Molecular weight	628.774
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	3.4
Synonyms	Cyclo[L-Pro-D-Phe-L-Ile-1,6-didehydro-D-Pyz-N-methyl-D-Phe-] J440.774A L-366,706
Inchi Key	OTWWUHFSTJTPLY-BGXORGPJSA-N
Inchi ID	InChI=1S/C35H44N6O5/c1-4-23(2)30-35(46)41-28(17-11-19-36-41)33(44)39(3)29(22-25-15-9-6-10-16-25)34(45)40-20-12-18-27(40)32(43)37-26(31(42)38-30)21-24-13-7-5-8-14-24/h5-10,13-16,19,23,26-30H,4,11-12,17-18,20-22H2,1-3H3,(H,37,43)(H,38,42)/t23?,26-,27+,28+,29?,30?/m0/s1
PubChem CID	91898392
ChEMBL	N/A
IUPHAR	N/A
BindingDB	81892
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
250282	Oxytocin receptor	P70536	Oxtr	Rattus norvegicus (Rat)	388
250283	Oxytocin receptor	P30559	OXTR	Homo sapiens (Human)	389
250284	Oxytocin receptor	P56494	OXTR	Macaca mulatta (Rhesus macaque)	389
250281	Vasopressin V2 receptor	Q00788	Avpr2	Rattus norvegicus (Rat)	371

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