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GLASS

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

Name	Cannabinoid receptor 2
Species	Mus musculus (Mouse)
Gene	Cnr2
Synonym	Peripheral cannabinoid receptor mCB2 CB2-R CB2 receptor CB2 CB-2 cannabinoid receptor 2 (spleen) cannabinoid receptor 2 (macrophage) rCB2 [ Show all ]
Disease	N/A for non-human GPCRs
Length	347
Amino acid sequence	MEGCRETEVTNGSNGGLEFNPMKEYMILSSGQQIAVAVLCTLMGLLSALENMAVLYIILSSRRLRRKPSYLFISSLAGADFLASVIFACNFVIFHVFHGVDSNAIFLLKIGSVTMTFTASVGSLLLTAVDRYLCLCYPPTYKALVTRGRALVALCVMWVLSALISYLPLMGWTCCPSPCSELFPLIPNDYLLGWLLFIAILFSGIIYTYGYVLWKAHRHVATLAEHQDRQVPGIARMRLDVRLAKTLGLVLAVLLICWFPALALMGHSLVTTLSDQVKEAFAFCSMLCLVNSMVNPIIYALRSGEIRSAAQHCLIGWKKYLQGLGPEGKEEGPRSSVTETEADVKTT
UniProt	P47936
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5373
IUPHAR	57
DrugBank	N/A

Ligand

Name	Ibipinabant
Molecular formula	C23H20Cl2N4O2S
IUPAC name	(4S)-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	SR-01000946296-1 (S)-3-(4-chlorophenyl)-N''-(4-chlorophenylsulfonyl)-N-methyl-4-phenyl-4,5-dihydropyrazole-1-carboxamidine 4-Chloro-N-[1-[(S)-3-(4-chloro-phenyl)-4-phenyl-4,5-dihydro-pyrazol-1-yl]-1-methylamino-meth-(Z)-ylidene]-benzenesulfonamide BMS-646256 HMS3650K08 MolPort-042-665-746 ( inverted exclamation markA)-SLV 319 (S,Z)-3-(4-chlorophenyl)-N-(4-chlorophenylsulfonyl)-N''-methyl-4-phenyl-4,5-dihydropyrazole-1-carboxamidine Ibipinabant [USAN:INN] SCHEMBL304252 SLV319 (E)-(4S)-3-(4-Chlorophenyl)-N'-((4-chlorophenyl)sulfonyl)-N-methyl-4-phenyl-4,5-dihydro-1H-pyrazole-1-carboximidamide 213I103 BDBM50230537 DB12649 JD-5001 UNII-O5CSC6WH1T (S)-3-(4-chlorophenyl)-N-(4-chlorophenylsulfonyl)-N''-methyl-4-phenyl-4,5-dihydropyrazole-1-carboxamidine 464213-10-3 BRD-K17023466-001-01-3 NCGC00386621-02 SLV 319 (4s)-(-)-3-(4-chlorophenyl)-N-methyl-N'-[(4-chlorophenyl)sulfonyl]-4-phenyl-4,5-dihydro-1h-pyrazole-1-carboxamidine 1794AH CHEMBL412262 Ibipinabant; SLV 319, (S)-(-)- SR-01000946296 (S)-3-(4-chlorophenyl)-N''-(4-chlorophenylsulfonyl)-N-methyl-4-phenyl-4,5-dihydro-1H-pyrazole-1-carboximidamide 4-Chloro-N-[1-[(S)-3-(4-chloro-phenyl)-4-phenyl-4,5-dihydro-pyrazol-1-yl]-1-methylamino-meth-(E)-ylidene]-benzenesulfonamide BMS 646256 GTPL9234 LS-193349 ZINC3964747 (S)-SLV 319 4S-(-)-3-(4-chlorophenyl)-N-methyl-N''-[(4-chlorophenyl)-sulfonyl]-4-phenyl-4,5-dihydro-1H-pyrazole-1-caboxamidine C23H20Cl2N4O2S Ibipinabant (USAN/INN) O5CSC6WH1T SLV-319 (4S)-3-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-methyl-4-phenyl-4,5-dihydropyrazole-1-carboximidamide 1H-Pyrazole-1-carboximidamide, 3-(4-chlorophenyl)-N-((4-chlorophenyl)sulfonyl)-4,5-dihydro-N'-methyl-4-phenyl-, (4S)- B7689 D09349 JD 5001 [ Show all ]
Inchi Key	AXJQVVLKUYCICH-OAQYLSRUSA-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)/t21-/m1/s1
PubChem CID	9826744
ChEMBL	CHEMBL412262
IUPHAR	9234
BindingDB	50230537
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
LED	3.0 mg kg-1	PMID14736243	ChEMBL

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