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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	SMR000078129
Molecular formula	C15H15F3N2O2S
IUPAC name	ethyl 3-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]propanoate
Molecular weight	344.352
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	3.2
Synonyms	MLS000050672 ethyl 3-[3-cyano-4-(trifluoromethyl)-5,6,7-trihydrocyclopenta[1,2-e]pyridin-2- ylthio]propanoate ethyl 3-{[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}propanoate RSC005124 626227-09-6 KS-00003RT0 ST039544 ethyl 3-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]propanoate MLS002547061 ethyl 3-{[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]thio}propanoate AC1MGJA4 MCULE-8125554747 ZINC4058282 CHEMBL1599779 ethyl 3-{[3-cyano-4-(trifluoromethyl)-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}propanoate MolPort-002-277-054 HMS2482G23 SS-0319 AKOS003599009 [ Show all ]
Inchi Key	ACJJLTJHFPFIQK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H15F3N2O2S/c1-2-22-12(21)6-7-23-14-10(8-19)13(15(16,17)18)9-4-3-5-11(9)20-14/h2-7H2,1H3
PubChem CID	2961898
ChEMBL	CHEMBL1599779
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
1627	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
1626	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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