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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	MLS001215955
Molecular formula	C24H30O5
IUPAC name	(9S,10S,13R,17R)-3,5-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-1,2,3,4,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
Molecular weight	398.499
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.4
Synonyms	BDBM97138 SMR000544671 cid_16407310 (9S,10S,13R,17R)-3,5-dihydroxy-13-methyl-17-(6-oxo-3-pyranyl)-1,2,3,4,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carboxaldehyde (9S,10S,13R,17R)-3,5-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-1,2,3,4,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde HMS2880O22 AKOS032436289 MolPort-002-535-376 CHEMBL1344346 (9S,10S,13R,17R)-13-methyl-3,5-bis(oxidanyl)-17-(6-oxidanylidenepyran-3-yl)-1,2,3,4,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde (9S,10S,13R,17R)-3,5-dihydroxy-17-(6-ketopyran-3-yl)-13-methyl-1,2,3,4,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde MCULE-6300906836 [ Show all ]
Inchi Key	GINUJYZEMXGGKW-ZIRAPXTMSA-N
Inchi ID	InChI=1S/C24H30O5/c1-22-9-8-20-17(7-11-24(28)12-16(26)6-10-23(20,24)14-25)19(22)4-3-18(22)15-2-5-21(27)29-13-15/h2,4-5,13-14,16-18,20,26,28H,3,6-12H2,1H3/t16?,17?,18-,20-,22+,23-,24?/m0/s1
PubChem CID	16407310
ChEMBL	CHEMBL1344346
IUPHAR	N/A
BindingDB	97138
DrugBank	N/A
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
97382	Galanin receptor type 3	O60755	GALR3	Homo sapiens (Human)	368
97383	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
97384	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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