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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	aloin
Molecular formula	C21H22O9
IUPAC name	1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one
Molecular weight	418.398
Hydrogen bond acceptor	9
Hydrogen bond donor	7
XlogP	-0.1
Synonyms	(1S)-1,5-anhydro-1-[4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl]-D-glucitol Aloin A Q-100153 1,8-Dihydroxy-3-(hydroxymethyl)-10-(beta-D-glucopyranosyl)anthracene-9(10H)-one 9(10H)-Anthracenone, 10-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)- BDBM50269016 10-beta-D-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)anthracen-9(10H)-one Alloin 1,8- Dihydroxy-3-hydroxymethyl-10-beta-D-glucopyranosyl-9-anthron 5133-19-7 Aloin, Cape SCHEMBL4974144 10-(1',5'-Anhydroglucosyl)aloe-emodin-9-anthrone AI3-19097 CCG-230807 10-beta-D-Glucopyranosyl-1,8-dihydroxy-3-hydroxymethyl-9(10H)-anthrone CHEMBL497001 1,8-dihydroxy-3-(hydroxymethyl)-10-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)anthracen-9(10H)-one 8015-61-0 Aloin, curaco SMP1_000011 10-(1,5'-Anhydroglucosyl)aloe-emodin-9-anthrone AKOS015895347 CHEBI:73222 [ Show all ]
Inchi Key	AFHJQYHRLPMKHU-CGISPIQUSA-N
Inchi ID	InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14?,17-,19+,20-,21+/m1/s1
PubChem CID	9866696
ChEMBL	CHEMBL497001
IUPHAR	N/A
BindingDB	50269016
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor.

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
4158	P2Y purinoceptor 12	Q9H244	P2RY12	Homo sapiens (Human)	342

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