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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	MLS000123364
Molecular formula	C17H17N3O5S3
IUPAC name	ethyl 2-[[5-[4-(thiophen-2-ylmethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
Molecular weight	439.519
Hydrogen bond acceptor	10
Hydrogen bond donor	1
XlogP	2.7
Synonyms	AKOS000781196 HMS1684C21 (5-{4-[(Thiophen-2-ylmethyl)-sulfamoyl]-phenyl}-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid ethyl ester SMR000123955 ethyl 2-[[5-[4-(thiophen-2-ylmethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate ZINC12645486 ASN 06482509 HMS2467O13 2-[[5-[4-(2-thenylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]acetic acid ethyl ester CHEMBL1383506 SR-01000328798 AC1MLKQP ethyl 2-[[5-[4-(thiophen-2-ylmethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoate BDBM62078 2-[[5-[4-(thiophen-2-ylmethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]acetic acid ethyl ester cid_3221353 SR-01000328798-1 [ Show all ]
Inchi Key	AOOMEGPGORJQQS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H17N3O5S3/c1-2-24-15(21)11-27-17-20-19-16(25-17)12-5-7-14(8-6-12)28(22,23)18-10-13-4-3-9-26-13/h3-9,18H,2,10-11H2,1H3
PubChem CID	3221353
ChEMBL	CHEMBL1383506
IUPHAR	N/A
BindingDB	62078
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
10422	Melanin-concentrating hormone receptor 1	Q99705	MCHR1	Homo sapiens (Human)	422
10421	Neuropeptides B/W receptor type 1	P48145	NPBWR1	Homo sapiens (Human)	328

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