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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	SMR000624799
Molecular formula	C17H22ClN3O5S3
IUPAC name	2-[4-[4-(4-chlorophenyl)sulfonyl-2-ethylsulfonyl-1,3-thiazol-5-yl]piperazin-1-yl]ethanol
Molecular weight	480.009
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	2.2
Synonyms	CHEMBL1506053 ST50812416 2-{4-[4-(4-chlorobenzenesulfonyl)-2-(ethanesulfonyl)-1,3-thiazol-5-yl]piperazin-1-yl}ethan-1-ol MCULE-2848210096 ZINC20414497 863450-10-6 CCG-140277 MolPort-003-048-650 HMS1630C18 STL011724 2-{4-[4-[(4-chlorophenyl)sulfonyl]-2-(ethylsulfonyl)-1,3-thiazol-5-yl]piperazin-1-yl}ethanol MLS001110802 AB00851022-06 2-(4-{4-[(4-chlorophenyl)sulfonyl]-2-(ethylsulfonyl)-1,3-thiazol-5-yl}piperazin-1-yl)ethanol HMS2958K04 Z440829516 4-[(4-chlorophenyl)sulfonyl]-2-(ethylsulfonyl)-5-[4-(2-hydroxyethyl)piperaziny l]-1,3-thiazole MLS003880478 AKOS001867663 [ Show all ]
Inchi Key	FBVBNYPBBUIBRN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H22ClN3O5S3/c1-2-28(23,24)17-19-15(29(25,26)14-5-3-13(18)4-6-14)16(27-17)21-9-7-20(8-10-21)11-12-22/h3-6,22H,2,7-12H2,1H3
PubChem CID	20888797
ChEMBL	CHEMBL1506053
IUPHAR	N/A
BindingDB	N/A
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
74589	Relaxin receptor 1	Q9HBX9	RXFP1	Homo sapiens (Human)	757
74591	Relaxin receptor 2	Q8WXD0	RXFP2	Homo sapiens (Human)	754
74590	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424

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