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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	MLS000073782
Molecular formula	C17H16F3N5O3S3
IUPAC name	N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanamide
Molecular weight	491.522
Hydrogen bond acceptor	12
Hydrogen bond donor	1
XlogP	2.8
Synonyms	CHEMBL1410897 N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-propanamide AC1LCSJ6 MLS-0041503.0001 SMR000006025 BDBM70287 N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-3-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-propionamide cid_655335 N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanamide AKOS000781523 ZINC4355594 N-(5-Isopropyl-[1,3,4]thiadiazol-2-yl)-3-(4-thiophen-2-yl-6-trifluoromethyl-pyrimidine-2-sulfonyl)-propionamide HMS2378A23 N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3-[[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl]propanamide ASN 05990586 MLS000880407 [ Show all ]
Inchi Key	CKELAGJMAWSHKC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H16F3N5O3S3/c1-9(2)14-24-25-15(30-14)23-13(26)5-7-31(27,28)16-21-10(11-4-3-6-29-11)8-12(22-16)17(18,19)20/h3-4,6,8-9H,5,7H2,1-2H3,(H,23,25,26)
PubChem CID	655335
ChEMBL	CHEMBL1410897
IUPHAR	N/A
BindingDB	70287
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor.

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
43967	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413
43970	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
43969	Sphingosine 1-phosphate receptor 1	P21453	S1PR1	Homo sapiens (Human)	382
43968	Sphingosine 1-phosphate receptor 4	O95977	S1PR4	Homo sapiens (Human)	384

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