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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	SMR000068630
Molecular formula	C20H17ClN4O2S
IUPAC name	2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,3-oxazole
Molecular weight	412.892
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	4.0
Synonyms	MolPort-004-082-765 AC1M9Z10 ZINC3447624 CHEMBL1412804 MLS000057711 3-[(4-chlorophenoxy)methyl]-4-methyl-5-{[(5-phenyl-1,3-oxazol-2-yl)methyl]sulfanyl}-4H-1,2,4-triazole AKOS033909401 HMS2372A13 MLS002633877 852226-37-0 Z24322104 MCULE-3052110704 2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,3-oxazole [ Show all ]
Inchi Key	AHTSXPJTVBZNTR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H17ClN4O2S/c1-25-18(12-26-16-9-7-15(21)8-10-16)23-24-20(25)28-13-19-22-11-17(27-19)14-5-3-2-4-6-14/h2-11H,12-13H2,1H3
PubChem CID	2567776
ChEMBL	CHEMBL1412804
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
5873	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
5874	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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