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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	MLS000861141
Molecular formula	C19H15N3O3
IUPAC name	3-(furan-2-yl)-5-(4-nitrophenyl)-2-phenyl-3,4-dihydropyrazole
Molecular weight	333.347
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.0
Synonyms	BDBM31372 MCULE-5962265369 5-(2-Furyl)-3-(4-nitrophenyl)-1-phenyl-4,5-dihydro-1H-pyrazole CHEMBL1526126 SMR000459925 3-(2-furanyl)-5-(4-nitrophenyl)-2-phenyl-3,4-dihydropyrazole AC1LBTKW DCFSIJLWXJXSQC-UHFFFAOYSA-N VU0517972-1 4155-82-2 CCG-908 5-(2-Furyl)-3-(4-nitrophenyl)-1-phenyl-4,5-dihydro-1H-pyrazole # cid_564008 SR-01000638589-1 3-(furan-2-yl)-5-(4-nitrophenyl)-2-phenyl-3,4-dihydropyrazole AKOS027445449 HMS2801O16 5-(2-furyl)-3-(4-nitrophenyl)-1-phenyl-2-pyrazoline MolPort-000-156-174 1H-Pyrazole, 5-(2-furanyl)-4,5-dihydro-3-(4-nitrophenyl)-1-phenyl- 5-Furan-2-yl-3-(4-nitro-phenyl)-1-phenyl-4,5-dihydro-1H-pyrazole CTK5I3094 VU0352926-2 [ Show all ]
Inchi Key	DCFSIJLWXJXSQC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H15N3O3/c23-22(24)16-10-8-14(9-11-16)17-13-18(19-7-4-12-25-19)21(20-17)15-5-2-1-3-6-15/h1-12,18H,13H2
PubChem CID	564008
ChEMBL	CHEMBL1526126
IUPHAR	N/A
BindingDB	31372
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	>500.0 nM	PubChem BioAssay data set	ChEMBL
EC50	500.0 nM	N/A	BindingDB

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