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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 | CHEMBL3908425 |
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Molecular formula | C21H27F2N5O3 |
IUPAC name | N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2-carboxamide |
Molecular weight | 435.476 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 0 |
XlogP | 3.0 |
Synonyms | US9303012, 36 ACEILWZOWWUYEY-UHFFFAOYSA-N BDBM221110 SCHEMBL15778214 6-Cyclopropylmethoxy-5-(3,3-difluoro-azetidin-1-yl)-pyridine-2-carboxylic acid tert-butyl-(5-methyl-[1,3,4]oxadiazol-2-ylmethyl)-amide |
Inchi Key | ACEILWZOWWUYEY-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H27F2N5O3/c1-13-25-26-17(31-13)9-28(20(2,3)4)19(29)15-7-8-16(27-11-21(22,23)12-27)18(24-15)30-10-14-5-6-14/h7-8,14H,5-6,9-12H2,1-4H3 |
PubChem CID | 76283838 |
ChEMBL | CHEMBL3908425 |
IUPHAR | N/A |
BindingDB | 221110 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 225.7 nM | , None | BindingDB,ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218