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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	SR-01000051804-2
Molecular formula	C19H19N3OS
IUPAC name	1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-pyrimidin-2-ylsulfanylethanone
Molecular weight	337.441
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.6
Synonyms	HMS1722M09 AKOS000857201 SR-01000051804 1-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-(pyrimidin-2-ylsulfanyl)ethan-1-one CHEMBL1472755 Z18380664 1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-(2-pyrimidinylthio)ethanone 745024-13-9 MCULE-8915674172 BDBM41741 SR-01000051804-1 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-(2-pyrimidylthio)ethanone cid_2100427 ZINC2637647 1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-pyrimidin-2-ylsulfanyl-ethanone AC1M1KO7 MolPort-003-217-119 1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-pyrimidin-2-ylsulfanylethanone [ Show all ]
Inchi Key	AGKOKHVKNMPUPG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H19N3OS/c1-14-11-17(18(23)13-24-19-20-9-6-10-21-19)15(2)22(14)12-16-7-4-3-5-8-16/h3-11H,12-13H2,1-2H3
PubChem CID	2100427
ChEMBL	CHEMBL1472755
IUPHAR	N/A
BindingDB	41741
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
4963	Sphingosine 1-phosphate receptor 2	O95136	S1PR2	Homo sapiens (Human)	353

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