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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	MLS001017764
Molecular formula	C24H19N3O4S
IUPAC name	[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-[(2-cyanoacetyl)amino]benzoate
Molecular weight	445.493
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.4
Synonyms	4-[(2-cyanoacetyl)amino]benzoic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester CHEMBL1302969 Z18636765 [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-[(2-cyanoacetyl)amino]benzoate AB00595457-02 HMS3364A04 BDBM61544 MolPort-004-265-799 cid_2400177 ZINC3284643 {[2-(phenylsulfanyl)phenyl]carbamoyl}methyl 4-(2-cyanoacetamido)benzoate AC1M6KEY MCULE-5875549070 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester SMR000354049 730990-52-0 HMS2636P24 [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 4-(2-cyanoethanoylamino)benzoate AKOS000859201 [ Show all ]
Inchi Key	BKZKGGRNJUJESN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H19N3O4S/c25-15-14-22(28)26-18-12-10-17(11-13-18)24(30)31-16-23(29)27-20-8-4-5-9-21(20)32-19-6-2-1-3-7-19/h1-13H,14,16H2,(H,26,28)(H,27,29)
PubChem CID	2400177
ChEMBL	CHEMBL1302969
IUPHAR	N/A
BindingDB	61544
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
26327	G-protein coupled receptor 55	Q9Y2T6	GPR55	Homo sapiens (Human)	319

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