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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	362519-49-1
Molecular formula	C23H20Cl2N4O2S
IUPAC name	5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-methyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide
Molecular weight	487.399
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	5.3
Synonyms	R-SLV319 (+/-)-SLV 319 3-(4-Chlorophenyl)-N-[(4-Chlorophenyl)sulfonyl]-4,5-dihydro-N'-methyl-4-phenyl-1H-pyrazole-1-carboximidamide CS-6430 SCHEMBL14740149 ( inverted exclamation markA)-Ibipinabant (S)-SLV 319 AKOS024458248 HMS3650M14 MolPort-035-765-770 ( inverted exclamation markA)-SLV-319 RT-015587 (+/-)-SLV319 CTK8E8422 HY-14791A SR-01000946306 ( inverted exclamation markA)-Ibipinabant;( inverted exclamation markA)-BMS646256 BDBM29094 MolPort-042-665-745 ( inverted exclamation markA)-SLV319 3-(4-chlorophenyl)-N''''''''-(4-chlorophenylsulfonyl)-N-methyl-4-phenyl-4,5-dihydro-1H-pyrazole-1-carboximidamide CHEMBL158784 SCHEMBL1315229 ( )-SLV 319 (S)-3-(4-chlorophenyl)-N-(4-chlorophenylsulfonyl)-N'-methyl-4-phenyl-4,5-dihydropyrazole-1-carboxamidine 4-Chloro-N-[1-[3-(4-chloro-phenyl)-4-phenyl-4,5-dihydro-pyrazol-1-yl]-1-methylamino-meth-(E)-ylidene]-benzenesulfonamide DTXSID60457819 MolPort-009-019-212 SR-01000946306-1 ( inverted exclamation markA)-SLV 319 1056AH C23H20Cl2N4O2S [ Show all ]
Inchi Key	AXJQVVLKUYCICH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)
PubChem CID	11179267
ChEMBL	CHEMBL158784
IUPHAR	N/A
BindingDB	29094
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	<5000.0 nM	PMID22959249	BindingDB,ChEMBL
Ki	<1000.0 nM	PMID20047331, PMID20137935, PMID19699640, PMID14736243	BindingDB,ChEMBL
Ki	1000.0 nM	PMID20047331	PDSP
Ki	1995.0 nM	PMID19338356	BindingDB
Ki	7943.0 nM	PMID19520572	PDSP
Ki	125893.0 nM	PMID21183257	ChEMBL

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