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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	3,20-dioxopregn-4-en-21-yl 4-bromobenzenesulfonate
Molecular formula	C27H33BrO5S
IUPAC name	[2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 4-bromobenzenesulfonate
Molecular weight	549.52
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	5.2
Synonyms	D09KUE 170D343 AKOS028112969 NSC88915 ZINC4901407 CHEMBL387152 AC1L60NG NCI60_041972 Pregn-4-ene-3,20-dione, 21-[[(4-bromophenyl)sulfonyl]oxy]- 2-((8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl 4-bromobenzenesulfonate BDBM50158383 [2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 4-bromobenzenesulfonate 4-pregnen-21-ol-3,20-dione-21-(4-bromobenzenesufonate) CTK1A5243 AC1Q267H NSC-88915 SCHEMBL13856957 21170-34-3 [ Show all ]
Inchi Key	ZQNARVKYKGBJES-YNHSGCSHSA-N
Inchi ID	InChI=1S/C27H33BrO5S/c1-26-13-11-19(29)15-17(26)3-8-21-22-9-10-24(27(22,2)14-12-23(21)26)25(30)16-33-34(31,32)20-6-4-18(28)5-7-20/h4-7,15,21-24H,3,8-14,16H2,1-2H3/t21-,22-,23-,24+,26-,27-/m0/s1
PubChem CID	259210
ChEMBL	CHEMBL387152
IUPHAR	N/A
BindingDB	50158383
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. 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
435077	Rhodopsin	P02699	RHO	Bos taurus (Bovine)	348

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