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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	MLS000590711
Molecular formula	C22H20N4O4S
IUPAC name	(E)-3-(4-methoxyphenyl)-N-[[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]carbamothioyl]prop-2-enamide
Molecular weight	436.486
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	4.0
Synonyms	(E)-3-(4-Methoxy-phenyl)-N-[N'-(5-methyl-3-phenyl-isoxazole-4-carbonyl)-hydrazinocarbothioyl]-acrylamide AKOS005478273 STK550455 (E)-3-(4-methoxyphenyl)-N-[[(5-methyl-3-phenyl-isoxazole-4-carbonyl)amino]thiocarbamoyl]acrylamide CHEMBL1342221 MolPort-002-591-486 (E)-3-(4-methoxyphenyl)-N-[[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]carbamothioyl]prop-2-enamide BDBM67235 ZINC2247318 (E)-3-(4-methoxyphenyl)-N-[[[(5-methyl-3-phenyl-4-isoxazolyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-propenamide cid_1875884 (2E)-3-(4-methoxyphenyl)-N-({2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]hydrazinyl}carbonothioyl)prop-2-enamide AC1LYILC SMR000219092 (E)-3-(4-methoxyphenyl)-N-[[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]carbamothioyl]prop-2-enamide 1164484-13-2 [ Show all ]
Inchi Key	DCVHMNYYLOZYBF-JLHYYAGUSA-N
Inchi ID	InChI=1S/C22H20N4O4S/c1-14-19(20(26-30-14)16-6-4-3-5-7-16)21(28)24-25-22(31)23-18(27)13-10-15-8-11-17(29-2)12-9-15/h3-13H,1-2H3,(H,24,28)(H2,23,25,27,31)/b13-10+
PubChem CID	1875884
ChEMBL	CHEMBL1342221
IUPHAR	N/A
BindingDB	67235
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
56770	Apelin receptor	P35414	APLNR	Homo sapiens (Human)	380
56769	Type-1 angiotensin II receptor	P30556	AGTR1	Homo sapiens (Human)	359

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