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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	SMR000060790
Molecular formula	C23H30ClN3O5S
IUPAC name	1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol
Molecular weight	496.019
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	2.3
Synonyms	1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol MCULE-1013665136 AC1MHA8E MolPort-004-247-293 CHEMBL1365201 Z56798473 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-[4-(morpholine-4-sulfonyl)phenoxy]propan-2-ol MLS000054452 AKOS034456025 REGID_for_CID_2998739 HMS2476P05 716375-58-5 MLS000879925 [ Show all ]
Inchi Key	HFTBUYNKBZOJMS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H30ClN3O5S/c24-22-3-1-2-4-23(22)26-11-9-25(10-12-26)17-19(28)18-32-20-5-7-21(8-6-20)33(29,30)27-13-15-31-16-14-27/h1-8,19,28H,9-18H2
PubChem CID	2998739
ChEMBL	CHEMBL1365201
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
113733	5-hydroxytryptamine receptor 2A	P35363	Htr2a	Mus musculus (Mouse)	471
113731	Mu-type opioid receptor	P35372	OPRM1	Homo sapiens (Human)	400
113732	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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