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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 | JTE 907 |
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Molecular formula | C24H26N2O6 |
IUPAC name | N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide |
Molecular weight | 438.48 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 4.4 |
Synonyms | NCGC00159582-01 BDBM85739 HMS3269I13 N-(1,3-BENZODIOXOL-5-YLMETHYL)-1,2-DIHYDRO-7-METHOXY-2-OXO-8-(PENTYLOXY)-3-QUINOLINECARBOXAMIDE SCHEMBL3684662 [ Show all ] |
Inchi Key | GRAJFFFXJYFVOC-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C24H26N2O6/c1-3-4-5-10-30-22-19(29-2)9-7-16-12-17(24(28)26-21(16)22)23(27)25-13-15-6-8-18-20(11-15)32-14-31-18/h6-9,11-12H,3-5,10,13-14H2,1-2H3,(H,25,27)(H,26,28) |
PubChem CID | 9867770 |
ChEMBL | CHEMBL178372 |
IUPHAR | N/A |
BindingDB | 85739 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | <316.23 nM | PMID20031412 | ChEMBL |
IC50 | 25.0 nM | PMID16539390 | BindingDB |
IC50 | 25.12 nM | PMID16539390 | ChEMBL |
IC50 | 644.0 nM | PMID24445310 | ChEMBL |
Imax | 80.0 % | PMID16539390 | ChEMBL |
Inhibition | 129.5 % | PMID24445310 | ChEMBL |
Kd | 158.49 nM | PMID20031412 | ChEMBL |
Ki | 0.087 nM | PMID21872477 | BindingDB,ChEMBL |
Ki | 0.38 nM | PMID15664857 | BindingDB,ChEMBL |
Ki | 1.55 nM | PMID15664857 | BindingDB,ChEMBL |
Ki | 35.9 nM | PMID11160626, PMID15664857, PMID21183257 | BindingDB,ChEMBL |
Ki | 130.0 nM | PMID20031412 | BindingDB,ChEMBL |
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