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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	CHEMBL218445
Molecular formula	C38H50N2O8S
IUPAC name	5-[[(E)-[(4-hexadecoxy-3-methoxyphenyl)-phenylmethylidene]amino]sulfamoyl]benzene-1,3-dicarboxylic acid
Molecular weight	694.884
Hydrogen bond acceptor	10
Hydrogen bond donor	3
XlogP	11.1
Synonyms	(E)-5-[1-(4-cetyloxy-3-methoxyphenyl)-1-phenylmethylene]-sulfohydrazono isophthalic acid BDBM50203772
Inchi Key	AWIXKKSJEDGSMS-WQBMDMGNSA-N
Inchi ID	InChI=1S/C38H50N2O8S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-48-34-23-22-30(28-35(34)47-2)36(29-20-17-16-18-21-29)39-40-49(45,46)33-26-31(37(41)42)25-32(27-33)38(43)44/h16-18,20-23,25-28,40H,3-15,19,24H2,1-2H3,(H,41,42)(H,43,44)/b39-36+
PubChem CID	16105530
ChEMBL	CHEMBL218445
IUPHAR	N/A
BindingDB	50203772
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
16072	Sphingosine 1-phosphate receptor 1	P21453	S1PR1	Homo sapiens (Human)	382
16071	Sphingosine 1-phosphate receptor 2	O95136	S1PR2	Homo sapiens (Human)	353
16070	Sphingosine 1-phosphate receptor 3	Q99500	S1PR3	Homo sapiens (Human)	378

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