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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 | CHEMBL2181543 |
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Molecular formula | C27H32O4 |
IUPAC name | 7-(1-butylcyclopentyl)-5-methoxy-3-[(2-methoxyphenyl)methyl]chromen-2-one |
Molecular weight | 420.549 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 0 |
XlogP | 7.9 |
Synonyms | BDBM50398217 |
Inchi Key | JDYPQQKFCAAXRZ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C27H32O4/c1-4-5-12-27(13-8-9-14-27)21-17-24(30-3)22-16-20(26(28)31-25(22)18-21)15-19-10-6-7-11-23(19)29-2/h6-7,10-11,16-18H,4-5,8-9,12-15H2,1-3H3 |
PubChem CID | 70678102 |
ChEMBL | CHEMBL2181543 |
IUPHAR | N/A |
BindingDB | 50398217 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Inhibition | 3.0 % | PMID22916707 | ChEMBL |
Ki | 1140.0 nM | PMID22916707 | BindingDB,ChEMBL |
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