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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	G-protein coupled receptor 55
Species	Homo sapiens (Human)
Gene	GPR55
Synonym	GPR55
Disease	N/A
Length	319
Amino acid sequence	MSQQNTSGDCLFDGVNELMKTLQFAVHIPTFVLGLLLNLLAIHGFSTFLKNRWPDYAATSIYMINLAVFDLLLVLSLPFKMVLSQVQSPFPSLCTLVECLYFVSMYGSVFTICFISMDRFLAIRYPLLVSHLRSPRKIFGICCTIWVLVWTGSIPIYSFHGKVEKYMCFHNMSDDTWSAKVFFPLEVFGFLLPMGIMGFCCSRSIHILLGRRDHTQDWVQQKACIYSIAASLAVFVVSFLPVHLGFFLQFLVRNSFIVECRAKQSISFFLQLSMCFSNVNCCLDVFCYYFVIKEFRMNIRAHRPSRVQLVLQDTTISRG
UniProt	Q9Y2T6
Protein Data Bank	N/A
GPCR-HGmod model	Q9Y2T6
3D structure model	This predicted structure model is from GPCR-EXP Q9Y2T6.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1075322
IUPHAR	109
DrugBank	BE0005802

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	4-[(3E)-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-oxidanylidene-5-phenyl-pyrrol-1-yl]benzoic acid AOB1198 HMS2595I13 s7370 328998-25-0 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 4-[(3E)-3-[[5-(4-nitrophenyl)-2-furanyl]methylidene]-2-oxo-5-phenyl-1-pyrrolyl]benzoic acid 4E1RCat, >=97% (HPLC) CHEMBL1610008 MolPort-002-970-554 (E)-4-(3-((5-(4-Nitrophenyl)furan-2-yl)methylene)-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl)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 4-((3E)-3-{[5-(4-nitrophenyl)-2-furyl]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-pyrrol-1-yl]benzoic acid AKOS000324533 cid_16195554 NCGC00370928-02 2170AH 4-[(3E)-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-oxo-5-phenylpyrrol-1-yl]benzoic acid BDBM48878 JM2_96A SR-01000415305 4-[(3E)-2-keto-3-[[5-(4-nitrophenyl)-2-furyl]methylene]-5-phenyl-2-pyrrolin-1-yl]benzoic acid MLS000685597 ZINC9311298 [ 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.

Experimental Data

Parameter	Value	Reference	Database source
IC50	>500.0 nM	PubChem BioAssay data set	ChEMBL
IC50	500.0 nM	N/A	BindingDB

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