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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	SMR000094562
Molecular formula	C23H26N4O2S
IUPAC name	2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
Molecular weight	422.547
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.6
Synonyms	AC1NSCO1 MCULE-4460831132 SR-01000129564-1 1-[({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}thio)acetyl]-4-pyridin-2-ylpiperazine MolPort-007-639-058 2-[[5-methyl-2-(p-tolyl)oxazol-4-yl]methylthio]-1-[4-(2-pyridyl)piperazino]ethanone HMS2263M16 AKOS001501517 MLS000117614 ZINC5057669 2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone CHEMBL1529029 regid7965230 HMS3441K15 SR-01000129564 BDBM37151 MLS002587315 2-[[5-methyl-2-(4-methylphenyl)-4-oxazolyl]methylthio]-1-[4-(2-pyridinyl)-1-piperazinyl]ethanone cid_5307495 SCHEMBL12008265 [ Show all ]
Inchi Key	AFIGTSAWIUKCJI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H26N4O2S/c1-17-6-8-19(9-7-17)23-25-20(18(2)29-23)15-30-16-22(28)27-13-11-26(12-14-27)21-5-3-4-10-24-21/h3-10H,11-16H2,1-2H3
PubChem CID	5307495
ChEMBL	CHEMBL1529029
IUPHAR	N/A
BindingDB	37151
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
463394	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593
4176	Sphingosine 1-phosphate receptor 1	P21453	S1PR1	Homo sapiens (Human)	382
4177	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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