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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	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	MCULE-9876542976 N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}(2-(2-thienyl)(4-quinolyl))carbox amide BIM-0036585.P001 N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-(thiophen-2-yl)quinoline-4-carboxamide STK442327 6129-32-4 DivK1c_005984 N-[4-(2-thiazolylsulfamoyl)phenyl]-2-thiophen-2-yl-4-quinolinecarboxamide AKOS003271402 MLS-0437218.0001 Oprea1_177434 CBMicro_036688 CHEMBL1727434 N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-thiophen-2-yl-quinoline-4-carboxamide ZINC2742413 DTXSID00366759 N-[4-(thiazol-2-ylsulfamoyl)phenyl]-2-(2-thienyl)cinchoninamide BDBM76076 CDS1_004944 MolPort-001-503-676 cid_2164452 N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide AC1M28LD [ 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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