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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	MLS000076295
Molecular formula	C21H23ClN4O3S
IUPAC name	4-[5-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline
Molecular weight	446.95
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	4.0
Synonyms	(4-{5-[1-(3-Chloro-benzenesulfonyl)-piperidin-4-yl]-[1,2,4]oxadiazol-3-yl}-phenyl)-dimethyl-amine BDBM84194 N-[4-(5-{1-[(3-chlorophenyl)sulfonyl]-4-piperidyl}-1,2,4-oxadiazol-3-yl)phenyl]-N,N-dimethylamine 4-[5-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline cid_651592 SR-01000347986-1 AKOS000766737 MLS002537099 4-[5-[1-(3-chlorophenyl)sulfonyl-4-piperidinyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline SMR000007431 HMS2439F15 ZINC1359318 ASN 06928316 MolPort-000-104-061 4-[5-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethyl-aniline CHEMBL1531826 SR-01000347986 AC1LCKDB [4-[5-[1-(3-chlorophenyl)sulfonyl-4-piperidyl]-1,2,4-oxadiazol-3-yl]phenyl]-dimethyl-amine [ Show all ]
Inchi Key	AHJLESCWKWSVKL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H23ClN4O3S/c1-25(2)18-8-6-15(7-9-18)20-23-21(29-24-20)16-10-12-26(13-11-16)30(27,28)19-5-3-4-17(22)14-19/h3-9,14,16H,10-13H2,1-2H3
PubChem CID	651592
ChEMBL	CHEMBL1531826
IUPHAR	N/A
BindingDB	84194
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
5618	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413

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