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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	CHEMBL2112923
Molecular formula	C39H44N6O6
IUPAC name	(2S,5S,8S,12S)-5,8-dibenzyl-2-(1H-indol-3-ylmethyl)-12-(2-morpholin-4-yl-2-oxoethyl)-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone
Molecular weight	692.817
Hydrogen bond acceptor	6
Hydrogen bond donor	5
XlogP	2.4
Synonyms	BDBM50404017
Inchi Key	NFVKJEFFJVAPHY-PMPXORTOSA-N
Inchi ID	InChI=1S/C39H44N6O6/c46-35-22-28(23-36(47)45-15-17-51-18-16-45)37(48)41-25-30(19-26-9-3-1-4-10-26)42-38(49)33(20-27-11-5-2-6-12-27)44-39(50)34(43-35)21-29-24-40-32-14-8-7-13-31(29)32/h1-14,24,28,30,33-34,40H,15-23,25H2,(H,41,48)(H,42,49)(H,43,46)(H,44,50)/t28-,30-,33-,34-/m0/s1
PubChem CID	71458042
ChEMBL	CHEMBL2112923
IUPHAR	N/A
BindingDB	50404017
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
222288	Substance-K receptor	P79218	TACR2	Oryctolagus cuniculus (Rabbit)	384
222289	Substance-K receptor	P21452	TACR2	Homo sapiens (Human)	398

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