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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 | MLS-0437176.0001 |
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Molecular formula | C20H18N4O |
IUPAC name | 4-(4-methoxyphenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine |
Molecular weight | 330.391 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 0 |
XlogP | 3.6 |
Synonyms | MolPort-009-014-757 4-(4-methoxyphenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine MCULE-2781717780 AS-938/12583062 ZINC36649131 [ Show all ] |
Inchi Key | AYBHAKOBTPNMON-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H18N4O/c1-13-4-8-16(9-5-13)24-12-18-19(23-24)14(2)21-22-20(18)15-6-10-17(25-3)11-7-15/h4-12H,1-3H3 |
PubChem CID | 42600928 |
ChEMBL | CHEMBL1713770 |
IUPHAR | N/A |
BindingDB | 76072 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | <32000.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
IC50 | <15600.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
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