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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	85618-20-8
Molecular formula	C13H26O5S
IUPAC name	(2S,3R,4S,5S,6R)-2-heptylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular weight	294.406
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	1.6
Synonyms	FT-0626930 Heptyl-1-thio-beta-D-glucopyranoside n-Heptyl-I(2)-D-thioglucopyranoside AKOS016846196 beta-D-Glucopyranoside,heptyl 1-thio- Heptyl 1-thiohexopyranoside HTG ST51037607 (2S,3R,4S,5S,6R)-2-(heptylthio)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol Heptyl beta-D-thioglucopyranoside n-Heptyl beta-D-thioglucopyranoside, >=99% (GC) GC8635 Heptyl-beta-D-1-thioglucopyranoside N-Heptylthioglucoside AX8144445 C13H26O5S Heptyl ?-D-thioglucopyranoside KB-295944 W0563 (2S,3R,4S,5S,6R)-2-heptylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol DB04450 Heptyl thioglucoside N-HEPTYL-BETA-D-THIOGLUCOPYRANOSIDE AC1LCVPH Heptyl 1-thioglucoside Heptyl-beta-D-1-thioglucopyranoside solution SCHEMBL137948 beta-D-Glucopyranoside, heptyl 1-thio- D0NW6E Heptyl b-D-thioglucopyranoside MFCD00043236 ZINC16052385 (2S,4S,5S,3R,6R)-2-heptylthio-6-(hydroxymethyl)-2H-3,4,5,6-tetrahydropyran-3,4 ,5-triol [ Show all ]
Inchi Key	HPEGNLMTTNTJSP-LBELIVKGSA-N
Inchi ID	InChI=1S/C13H26O5S/c1-2-3-4-5-6-7-19-13-12(17)11(16)10(15)9(8-14)18-13/h9-17H,2-8H2,1H3/t9-,10-,11+,12-,13+/m1/s1
PubChem CID	656917
ChEMBL	N/A
IUPHAR	N/A
BindingDB	N/A
DrugBank	DB04450
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
120602	Rhodopsin	P08100	RHO	Homo sapiens (Human)	348

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