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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	CHEMBL129089
Molecular formula	C43H58N6O6
IUPAC name	(1R,8S,11R,18S,21R,24S)-11,21-dibenzyl-24-[(2S)-butan-2-yl]-10-methyl-3,10,13,20,23,26-hexazatetracyclo[24.4.0.03,8.013,18]triacontane-2,9,12,19,22,25-hexone
Molecular weight	754.973
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	5.1
Synonyms	BDBM50001301 Cyclo[L-Hpr-D-Phe-L-Ile-D-Hpr-L-Hpr-N-methyl-D-Phe-]
Inchi Key	AYGIPDNOMKZKGS-KDPLRFIXSA-N
Inchi ID	InChI=1S/C43H58N6O6/c1-4-29(2)37-43(55)49-26-16-13-23-35(49)41(53)48-25-15-12-22-34(48)40(52)46(3)36(28-31-19-9-6-10-20-31)42(54)47-24-14-11-21-33(47)39(51)44-32(38(50)45-37)27-30-17-7-5-8-18-30/h5-10,17-20,29,32-37H,4,11-16,21-28H2,1-3H3,(H,44,51)(H,45,50)/t29-,32+,33-,34-,35+,36+,37-/m0/s1
PubChem CID	10372921
ChEMBL	CHEMBL129089
IUPHAR	N/A
BindingDB	50001301
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
17423	Oxytocin receptor	P70536	Oxtr	Rattus norvegicus (Rat)	388
17424	Vasopressin V1a receptor	P30560	Avpr1a	Rattus norvegicus (Rat)	424
17425	Vasopressin V2 receptor	Q00788	Avpr2	Rattus norvegicus (Rat)	371

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