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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	MLS000778974
Molecular formula	C17H13F3N2O3
IUPAC name	4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol
Molecular weight	350.297
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	3.7
Synonyms	394237-70-8 AC1NUKIQ cid_5732140 MolPort-001-818-970 (4E)-3-hydroxy-4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,5-dien-1-one 4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-benzenediol AC1Q4A45 HMS1421L17 STK829623 (4Z)-3-hydroxy-4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,5-dien-1-one MCULE-2287753261 4-(4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl)benzene-1,3-diol AC1NWN1Y EU-0039436 MLS000778974-02 SMR000415669 (4E)-3-hydroxy-4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-3-pyrazolin-3-ylidene]cyclohexa-2,5-dien-1-one 4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol AKOS002228672 HMS2743K09 ZINC85382232 3-hydroxy-4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,5-dien-1-one AB00114303-01 CHEMBL1460039 MLS-0392664.0001 MolPort-000-811-251 (4E)-3-hydroxy-4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,5-dienone 4-[4-(4-Methoxy-phenyl)-5-trifluoromethyl-1H-pyrazol-3-yl]-benzene-1,3-diol AC1O9FFO F0758-0081 ST50471194 (4E)-4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-ylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one 4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzene-1,3-diol BDBM61556 IFLab1_003427 [ Show all ]
Inchi Key	FVVBPMRBFOQCQK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H13F3N2O3/c1-25-11-5-2-9(3-6-11)14-15(21-22-16(14)17(18,19)20)12-7-4-10(23)8-13(12)24/h2-8,23-24H,1H3,(H,21,22)
PubChem CID	1322439
ChEMBL	CHEMBL1460039
IUPHAR	N/A
BindingDB	61556
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1060.0 nM	PubChem BioAssay data set	ChEMBL
IC50	1795.27 nM	PubChem BioAssay data set	ChEMBL
IC50	1795.27 nM	N/A	BindingDB

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