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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	4E1RCat
Molecular formula	C28H18N2O6
IUPAC name	4-[(3E)-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-oxo-5-phenylpyrrol-1-yl]benzoic acid
Molecular weight	478.46
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	5.3
Synonyms	MLS000685597 ZINC9311298 4-[(3E)-2-keto-3-[[5-(4-nitrophenyl)-2-furyl]methylene]-5-phenyl-2-pyrrolin-1-yl]benzoic acid 4-[(3E)-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-oxidanylidene-5-phenyl-pyrrol-1-yl]benzoic acid AOB1198 HMS2595I13 s7370 4-[(3E)-3-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl]benzoic acid Benzoic acid,4-[2,3-dihydro-3-[[5-(4-nitrophenyl)-2-furanyl]methylene]-2-oxo-5-phenyl-1H-pyrrol-1-yl]- KB-75363 SR-01000415305-1 328998-25-0 4E1RCat, >=97% (HPLC) CHEMBL1610008 MolPort-002-970-554 4-[(3E)-3-[[5-(4-nitrophenyl)-2-furanyl]methylidene]-2-oxo-5-phenyl-1-pyrrolyl]benzoic acid 4-[(3E)-3-[[5-(4-Nitrophenyl)furan-2-yl]methylidene]-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl]benzoic acid AS-16625 HMS644P11 SMR000312561 (E)-4-(3-((5-(4-Nitrophenyl)furan-2-yl)methylene)-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl)benzoic acid C28H18N2O6 ML107 STK193082 4-((3E)-3-{[5-(4-nitrophenyl)-2-furyl]methylene}-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl)benzoic acid 4-[(3E)-3-[[5-(4-nitrophenyl)-2-furyl]methylene]-2-oxo-5-phenyl-pyrrol-1-yl]benzoic acid AKOS000324533 cid_16195554 NCGC00370928-02 4-[(3E)-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-oxo-5-phenylpyrrol-1-yl]benzoic acid BDBM48878 JM2_96A SR-01000415305 2170AH [ Show all ]
Inchi Key	BBQRBOIMSKMFFO-LTGZKZEYSA-N
Inchi ID	InChI=1S/C28H18N2O6/c31-27-21(16-24-14-15-26(36-24)19-6-12-23(13-7-19)30(34)35)17-25(18-4-2-1-3-5-18)29(27)22-10-8-20(9-11-22)28(32)33/h1-17H,(H,32,33)/b21-16+
PubChem CID	16195554
ChEMBL	CHEMBL1610008
IUPHAR	N/A
BindingDB	48878
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	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
19754	C-C chemokine receptor type 6	P51684	CCR6	Homo sapiens (Human)	374
19755	G-protein coupled receptor 55	Q9Y2T6	GPR55	Homo sapiens (Human)	319
19757	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
19756	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
465304	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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