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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 | CHEMBL3975079 |
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Molecular formula | C20H23F3N4O4 |
IUPAC name | 5-cyclopropyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)-(3-methyloxetan-3-yl)methyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide |
Molecular weight | 440.423 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 1 |
XlogP | 3.4 |
Synonyms | BDBM240539 SCHEMBL15776308 5-cyclopropyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)-(3-methyloxetan-3-yl)methyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide US9409866, 254 AHXHLHDSESGHBO-VQVVDHBBSA-N [ Show all ] |
Inchi Key | AHXHLHDSESGHBO-VQVVDHBBSA-N |
Inchi ID | InChI=1S/C20H23F3N4O4/c1-10(20(21,22)23)30-15-6-14(24-7-13(15)12-4-5-12)18(28)26-16(19(3)8-29-9-19)17-25-11(2)31-27-17/h6-7,10,12,16H,4-5,8-9H2,1-3H3,(H,26,28)/t10-,16?/m0/s1 |
PubChem CID | 90203659 |
ChEMBL | CHEMBL3975079 |
IUPHAR | N/A |
BindingDB | 240539 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 6.5 nM | , None | BindingDB,ChEMBL |
EC50 | 6.7 nM | , None | BindingDB,ChEMBL |
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