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GPCR

Name	Cannabinoid receptor 2
Species	Homo sapiens (Human)
Gene	CNR2
Synonym	Peripheral cannabinoid receptor rCB2 hCB2 cannabinoid receptor 2 (macrophage) cannabinoid receptor 2 (spleen) CB-2 CB2 CB2 receptor CB2-R CX5 [ Show all ]
Disease	Immune disorder Inflammatory bowel disease Inflammatory disease Neuropathic pain Osteoporosis Pain Atopic dermatitis Rheumatoid arthritis [ Show all ]
Length	360
Amino acid sequence	MEECWVTEIANGSKDGLDSNPMKDYMILSGPQKTAVAVLCTLLGLLSALENVAVLYLILSSHQLRRKPSYLFIGSLAGADFLASVVFACSFVNFHVFHGVDSKAVFLLKIGSVTMTFTASVGSLLLTAIDRYLCLRYPPSYKALLTRGRALVTLGIMWVLSALVSYLPLMGWTCCPRPCSELFPLIPNDYLLSWLLFIAFLFSGIIYTYGHVLWKAHQHVASLSGHQDRQVPGMARMRLDVRLAKTLGLVLAVLLICWFPVLALMAHSLATTLSDQVKKAFAFCSMLCLINSMVNPVIYALRSGEIRSSAHHCLAHWKKCVRGLGSEAKEEAPRSSVTETEADGKITPWPDSRDLDLSDC
UniProt	P34972
Protein Data Bank	5zty
GPCR-HGmod model	P34972
3D structure model	This structure is from PDB ID 5zty.
BioLiP	BL0438927
Therapeutic Target Database	T37693
ChEMBL	CHEMBL253
IUPHAR	57
DrugBank	BE0000095

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	AKOS002228672 HMS2743K09 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 CHEMBL1460039 MLS-0392664.0001 ZINC85382232 3-hydroxy-4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,5-dien-1-one AB00114303-01 AC1O9FFO F0758-0081 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 BDBM61556 IFLab1_003427 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 cid_5732140 394237-70-8 AC1NUKIQ AC1Q4A45 HMS1421L17 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 MCULE-2287753261 STK829623 (4Z)-3-hydroxy-4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,5-dien-1-one EU-0039436 MLS000778974-02 4-(4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl)benzene-1,3-diol AC1NWN1Y [ 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
EC50	30200.0 nM	PubChem BioAssay data set	ChEMBL
IC50	<32000.0 nM	PubChem BioAssay data set	ChEMBL

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