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Name | Cannabinoid receptor 2 |
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Species | Homo sapiens (Human) |
Gene | CNR2 |
Synonym | Peripheral cannabinoid receptor rCB2 hCB2 cannabinoid receptor 2 (macrophage) cannabinoid receptor 2 (spleen) [ Show all ] |
Disease | Immune disorder Inflammatory bowel disease Inflammatory disease Neuropathic pain Osteoporosis [ 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 |
Name | CHEMBL2181540 |
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Molecular formula | C25H30O4 |
IUPAC name | 5-hydroxy-3-[(2-hydroxyphenyl)methyl]-7-(2-methyloctan-2-yl)chromen-2-one |
Molecular weight | 394.511 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 7.5 |
Synonyms | BDBM50398220 |
Inchi Key | XBZIGRIVQPZHKB-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H30O4/c1-4-5-6-9-12-25(2,3)19-15-22(27)20-14-18(24(28)29-23(20)16-19)13-17-10-7-8-11-21(17)26/h7-8,10-11,14-16,26-27H,4-6,9,12-13H2,1-3H3 |
PubChem CID | 70678099 |
ChEMBL | CHEMBL2181540 |
IUPHAR | N/A |
BindingDB | 50398220 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 54.0 nM | PMID22916707 | BindingDB,ChEMBL |
Inhibition | 76.0 % | PMID22916707 | ChEMBL |
Ki | 210.0 nM | PMID22916707 | BindingDB,ChEMBL |
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