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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.
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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	ST50920082
Molecular formula	C23H16N4O3S3
IUPAC name	N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
Molecular weight	492.586
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	4.3
Synonyms	CDS1_004944 MolPort-001-503-676 AC1M28LD cid_2164452 N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide BIM-0036585.P001 MCULE-9876542976 N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}(2-(2-thienyl)(4-quinolyl))carbox amide 6129-32-4 N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-(thiophen-2-yl)quinoline-4-carboxamide STK442327 AKOS003271402 DivK1c_005984 N-[4-(2-thiazolylsulfamoyl)phenyl]-2-thiophen-2-yl-4-quinolinecarboxamide CBMicro_036688 MLS-0437218.0001 Oprea1_177434 CHEMBL1727434 N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-thiophen-2-yl-quinoline-4-carboxamide ZINC2742413 BDBM76076 DTXSID00366759 N-[4-(thiazol-2-ylsulfamoyl)phenyl]-2-(2-thienyl)cinchoninamide [ Show all ]
Inchi Key	BNKRAYDPUDOBAS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H16N4O3S3/c28-22(18-14-20(21-6-3-12-31-21)26-19-5-2-1-4-17(18)19)25-15-7-9-16(10-8-15)33(29,30)27-23-24-11-13-32-23/h1-14H,(H,24,27)(H,25,28)
PubChem CID	2164452
ChEMBL	CHEMBL1727434
IUPHAR	N/A
BindingDB	76076
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	<32000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	<32000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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