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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-0437226.0001 |
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Molecular formula | C19H26N4OS |
IUPAC name | 2-methyl-1-[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one |
Molecular weight | 358.504 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 4.0 |
Synonyms | AKOS021878853 UPCMLD0ENAT5821511:001 2-methyl-1-[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one CHEMBL1710129 2-methyl-1-(4-{5-methyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraen-3-yl}piperazin-1-yl)propan-1-one [ Show all ] |
Inchi Key | CDFBPUHOZFSRSQ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H26N4OS/c1-12(2)19(24)23-10-8-22(9-11-23)17-16-14-6-4-5-7-15(14)25-18(16)21-13(3)20-17/h12H,4-11H2,1-3H3 |
PubChem CID | 17446092 |
ChEMBL | CHEMBL1710129 |
IUPHAR | N/A |
BindingDB | 76091 |
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 | <32000.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
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