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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	CHEMBL3349619
Molecular formula	C41H54N8O7S
IUPAC name	3-[(3S,6S,9S,12S,15S,18S)-3-benzyl-6-(1H-indol-3-ylmethyl)-15-(2-methylpropyl)-12-(2-methylsulfanylethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosan-9-yl]propanamide
Molecular weight	802.992
Hydrogen bond acceptor	8
Hydrogen bond donor	7
XlogP	2.9
Synonyms	Cyclo(L-Gln-L-Trp-L-Phe-L-Pro-L-Leu-L-Met-)
Inchi Key	GSJQRVOGSIPXIA-CVUOCSEZSA-N
Inchi ID	InChI=1S/C41H54N8O7S/c1-24(2)20-31-38(53)45-30(17-19-57-3)37(52)44-29(15-16-35(42)50)36(51)46-32(22-26-23-43-28-13-8-7-12-27(26)28)39(54)48-33(21-25-10-5-4-6-11-25)41(56)49-18-9-14-34(49)40(55)47-31/h4-8,10-13,23-24,29-34,43H,9,14-22H2,1-3H3,(H2,42,50)(H,44,52)(H,45,53)(H,46,51)(H,47,55)(H,48,54)/t29-,30-,31-,32-,33-,34-/m0/s1
PubChem CID	10417900
ChEMBL	CHEMBL3349619
IUPHAR	N/A
BindingDB	N/A
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
445802	Substance-K receptor	P16610	Tacr2	Rattus norvegicus (Rat)	390

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