Reaction Details Report a problem with these data
Target
Cannabinoid receptor 2
Ligand
BDBM50465046
Substrate
n/a
Meas. Tech.
ChEMBL_1783752 (CHEMBL4255269)
Ki
>10000±n/a nM
Citation
 Cooper, AG; MacDonald, C; Glass, M; Hook, S; Tyndall, JDA; Vernall, AJ Alkyl indole-based cannabinoid type 2 receptor tools: Exploration of linker and fluorophore attachment. Eur J Med Chem 145:770-789 (2018) [PubMed]  Article 
Target
Name:
Cannabinoid receptor 2
Synonyms:
CANNABINOID CB2 | CB-2 | CB2 | CB2A | CB2B | CNR2 | CNR2_HUMAN | CX5 | Cannabinoid CB2 receptor | Cannabinoid receptor 2 (CB2) | Cannabinoid receptor 2 (CB2R) | hCB2
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
39690.94
Organism:
Human
Description:
P34972
Residue:
360
Sequence:
MEECWVTEIANGSKDGLDSNPMKDYMILSGPQKTAVAVLCTLLGLLSALENVAVLYLILSSHQLRRKPSYLFIGSLAGADFLASVVFACSFVNFHVFHGVDSKAVFLLKIGSVTMTFTASVGSLLLTAIDRYLCLRYPPSYKALLTRGRALVTLGIMWVLSALVSYLPLMGWTCCPRPCSELFPLIPNDYLLSWLLFIAFLFSGIIYTYGHVLWKAHQHVASLSGHQDRQVPGMARMRLDVRLAKTLGLVLAVLLICWFPVLALMAHSLATTLSDQVKKAFAFCSMLCLINSMVNPVIYALRSGEIRSSAHHCLAHWKKCVRGLGSEAKEEAPRSSVTETEADGKITPWPDSRDLDLSDC
  
Inhibitor
Name:
BDBM50465046
Synonyms:
CHEMBL4281106
Type:
Small organic molecule
Emp. Form.:
C66H72BF2N9O9S
Mol. Mass.:
1216.206
SMILES:
CC(C)(NC(=O)COc1ccc2n(CCN3CCOCC3)cc(C(=O)c3cccc4ccccc34)c2c1)C(=O)NC(C)(C)C(=O)NCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\C2=[N+]3C(C=C2)=Cc2ccc(-c4cccs4)n2[B-]3(F)F)cc1 |c:75,77,t:72|
Structure:
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