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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	MLS001223988
Molecular formula	C22H28N2O4S
IUPAC name	N-(3,5-dimethylphenyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-3-carboxamide
Molecular weight	416.536
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.5
Synonyms	AC1MLTS7 HMS2917B19 ASN 07441754 N-(3,5-dimethylphenyl)-1-(4-ethoxyphenyl)sulfonyl-piperidine-3-carboxamide 1-(4-Ethoxy-benzenesulfonyl)-piperidine-3-carboxylic acid (3,5-dimethyl-phenyl)-amide CHEMBL1501952 REGID_FOR_CID_3228462 AKOS000792986 BDBM79931 N-(3,5-dimethylphenyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-3-carboxamide cid_3228462 SMR000602332 AKOS030481864 N-(3,5-dimethylphenyl)-1-(4-ethoxyphenyl)sulfonyl-3-piperidinecarboxamide N-(3,5-dimethylphenyl)-1-p-phenetylsulfonyl-nipecotamide [ Show all ]
Inchi Key	AFLCBYWOVUOJFP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H28N2O4S/c1-4-28-20-7-9-21(10-8-20)29(26,27)24-11-5-6-18(15-24)22(25)23-19-13-16(2)12-17(3)14-19/h7-10,12-14,18H,4-6,11,15H2,1-3H3,(H,23,25)
PubChem CID	3228462
ChEMBL	CHEMBL1501952
IUPHAR	N/A
BindingDB	79931
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
4255	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
4256	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444

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