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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	BHPI
Molecular formula	C21H17NO3
IUPAC name	3,3-bis(4-hydroxyphenyl)-7-methyl-1H-indol-2-one
Molecular weight	331.371
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	3.6
Synonyms	MolPort-001-667-514 3,3-bis(4-hydroxyphenyl)-7-methyl-1,3-dihydro-2H-indol-2-one AB00105948-01 CCG-21503 EU-0079779 SCHEMBL5478375 3,3-bis(4-hydroxyphenyl)-7-methylindolin-2-one AOB5365 cid_3860640 HY-12825 MLS-0096071.0001 SR-01000502745-1 1,3-Dihydro-3,3-bis(4-hydroxyphenyl)-7-methyl-2H-indol-2-one 56632-39-4 DNDI1417434 NCGC00408892-01 3,3-bis(4-hydroxyphenyl)-7-methyl-1H-indol-2-one AC1MYQB4 FABLAHMQSQFDHR-UHFFFAOYSA-N KS-00001D1Q SMR000194821 3,3-bis-(4-hydroxy-phenyl)-7-methyl-2-indolinone AS-16880 CS-4205 MLS000573319 ZINC4302867 2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxyphenyl)-7-methyl- Cambridge id 6373538 DTXSID00397487 REGID_for_CID_3860640 3,3-bis(4-hydroxyphenyl)-7-methyl-oxindole AKOS000350526 CHEMBL394883 HMS2153B10 MCULE-6280329543 SR-01000502745 3,3-bis-(4-hydroxyphenyl)-7-methyl-2 -indolinone BDBM61491 CTK1F4188 [ Show all ]
Inchi Key	FABLAHMQSQFDHR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H17NO3/c1-13-3-2-4-18-19(13)22-20(25)21(18,14-5-9-16(23)10-6-14)15-7-11-17(24)12-8-15/h2-12,23-24H,1H3,(H,22,25)
PubChem CID	3860640
ChEMBL	CHEMBL394883
IUPHAR	N/A
BindingDB	61491
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	ChEMBL
IC50	<32000.0 nM	PubChem BioAssay data set	ChEMBL

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