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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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Go to the GPCR page and check other ligands which interact with it.
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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	SCHEMBL17557608
Molecular formula	C34H30Cl2N4O5S
IUPAC name	2-[4-[4-[[6-[bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino]piperidin-1-yl]sulfonylphenoxy]acetic acid
Molecular weight	677.597
Hydrogen bond acceptor	9
Hydrogen bond donor	2
XlogP	7.5
Synonyms	US9682955, 3 BDBM143620
Inchi Key	AEIRXXZCCCQMDL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C34H30Cl2N4O5S/c35-25-6-1-22(2-7-25)33(23-3-8-26(36)9-4-23)24-5-14-31-30(19-24)34(38-21-37-31)39-27-15-17-40(18-16-27)46(43,44)29-12-10-28(11-13-29)45-20-32(41)42/h1-14,19,21,27,33H,15-18,20H2,(H,41,42)(H,37,38,39)
PubChem CID	118916093
ChEMBL	N/A
IUPHAR	N/A
BindingDB	143620
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
EC50	3432.0 nM	N/A	BindingDB

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