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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	CHEMBL2112924
Molecular formula	C41H48N6O10
IUPAC name	2-[(2S,5S,8S,12S)-5,8-dibenzyl-2-(1H-indol-3-ylmethyl)-3,6,11,14-tetraoxo-1,4,7,10-tetrazacyclotetradec-12-yl]-N-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide
Molecular weight	784.867
Hydrogen bond acceptor	10
Hydrogen bond donor	10
XlogP	0.5
Synonyms	BDBM50404018
Inchi Key	MAJNAZICSRKGLG-DPSFUIKSSA-N
Inchi ID	InChI=1S/C41H48N6O10/c48-22-32-35(51)36(52)37(53)41(57-32)47-34(50)19-25-18-33(49)45-31(17-26-20-42-29-14-8-7-13-28(26)29)40(56)46-30(16-24-11-5-2-6-12-24)39(55)44-27(21-43-38(25)54)15-23-9-3-1-4-10-23/h1-14,20,25,27,30-32,35-37,41-42,48,51-53H,15-19,21-22H2,(H,43,54)(H,44,55)(H,45,49)(H,46,56)(H,47,50)/t25-,27-,30-,31-,32?,35?,36?,37?,41?/m0/s1
PubChem CID	71461644
ChEMBL	CHEMBL2112924
IUPHAR	N/A
BindingDB	50404018
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. 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
200741	Substance-K receptor	P79218	TACR2	Oryctolagus cuniculus (Rabbit)	384
200742	Substance-K receptor	P21452	TACR2	Homo sapiens (Human)	398

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