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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	Aglaitriol
Molecular formula	C30H52O3
IUPAC name	(3R)-6-[(3S,8R,10R,13R,14R,17S)-3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-6-ene-2,3-diol
Molecular weight	460.743
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	7.7
Synonyms	(3R)-2-methyl-6-[(3S,8R,10R,13R,14R,17S)-4,4,8,10,14-pentamethyl-3-oxidanyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-6-ene-2,3-diol MLS002472965 (3R)-6-[(3S,8R,10R,13R,14R,17S)-3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-6-ene-2,3-diol BDBM80051 (3R)-6-[(3S,8R,10R,13R,14R,17S)-3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-6-heptene-2,3-diol SMR001397072 cid_44144318 (3R)-6-[(3S,8R,10R,13R,14R,17S)-3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-hept-6-ene-2,3-diol [ Show all ]
Inchi Key	ASMOUVFUKZIYNJ-HOPUCJHCSA-N
Inchi ID	InChI=1S/C30H52O3/c1-19(9-12-25(32)27(4,5)33)20-13-17-29(7)21(20)10-11-23-28(6)16-15-24(31)26(2,3)22(28)14-18-30(23,29)8/h20-25,31-33H,1,9-18H2,2-8H3/t20-,21-,22?,23?,24+,25-,28+,29-,30-/m1/s1
PubChem CID	44144318
ChEMBL	N/A
IUPHAR	N/A
BindingDB	80051
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

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
13286	C-C chemokine receptor type 6	P51684	CCR6	Homo sapiens (Human)	374

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