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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 | CHEMBL2316284 |
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Molecular formula | C24H32N2O2S |
IUPAC name | N-(1-adamantyl)-3-methyl-4-oxo-7-pentylthieno[2,3-b]pyridine-5-carboxamide |
Molecular weight | 412.592 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 6.0 |
Synonyms | BDBM50426083 |
Inchi Key | HRLKLBHUUARAHR-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C24H32N2O2S/c1-3-4-5-6-26-13-19(21(27)20-15(2)14-29-23(20)26)22(28)25-24-10-16-7-17(11-24)9-18(8-16)12-24/h13-14,16-18H,3-12H2,1-2H3,(H,25,28) |
PubChem CID | 71563279 |
ChEMBL | CHEMBL2316284 |
IUPHAR | N/A |
BindingDB | 50426083 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 31.0 nM | PMID23350768 | BindingDB,ChEMBL |
Emax | -167.0 % | PMID23350768 | ChEMBL |
Ki | 1.1 nM | PMID23350768 | BindingDB |
Ki | 1.12 nM | PMID23350768 | ChEMBL |
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