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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 | SCHEMBL17557708 |
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Molecular formula | C33H28Cl2N4O2 |
IUPAC name | 4-[[3-[[6-[bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino]pyrrolidin-1-yl]methyl]benzoic acid |
Molecular weight | 583.513 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 5.5 |
Synonyms | 4-[[3-([6-[bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino)pyrrolidin-1-yl]methyl]benzoic acid AGWQRTBAQIHKRT-UHFFFAOYSA-N US9682955, 14 BDBM143611 |
Inchi Key | AGWQRTBAQIHKRT-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C33H28Cl2N4O2/c34-26-10-5-22(6-11-26)31(23-7-12-27(35)13-8-23)25-9-14-30-29(17-25)32(37-20-36-30)38-28-15-16-39(19-28)18-21-1-3-24(4-2-21)33(40)41/h1-14,17,20,28,31H,15-16,18-19H2,(H,40,41)(H,36,37,38) |
PubChem CID | 118916186 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 143611 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 8700.0 nM | N/A | BindingDB |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218