Reaction Details  Report a problem with these data
Target
Cannabinoid receptor 2
Ligand
BDBM21334
Substrate
n/a
Meas. Tech.
ChEMBL_717853 (CHEMBL1670561)
Ki
0.4±n/a nM
Citation
 Brogi, S; Corelli, F; Di Marzo, V; Ligresti, A; Mugnaini, C; Pasquini, S; Tafi, A Three-dimensional quantitative structure-selectivity relationships analysis guided rational design of a highly selective ligand for the cannabinoid receptor 2. Eur J Med Chem 46:547-55 (2011) [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:
Homo sapiens (Human)
Description:
P34972
Residue:
360
Sequence:
MEECWVTEIANGSKDGLDSNPMKDYMILSGPQKTAVAVLCTLLGLLSALENVAVLYLILSSHQLRRKPSYLFIGSLAGADFLASVVFACSFVNFHVFHGVDSKAVFLLKIGSVTMTFTASVGSLLLTAIDRYLCLRYPPSYKALLTRGRALVTLGIMWVLSALVSYLPLMGWTCCPRPCSELFPLIPNDYLLSWLLFIAFLFSGIIYTYGHVLWKAHQHVASLSGHQDRQVPGMARMRLDVRLAKTLGLVLAVLLICWFPVLALMAHSLATTLSDQVKKAFAFCSMLCLINSMVNPVIYALRSGEIRSSAHHCLAHWKKCVRGLGSEAKEEAPRSSVTETEADGKITPWPDSRDLDLSDC
  
Inhibitor
Name:
BDBM21334
Synonyms:
1-(oxan-4-ylmethyl)-6-phenyl-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole | Tetrahydropyranyl-methyl analogue, 55
Type:
Small organic molecule
Emp. Form.:
C28H33NO2
Mol. Mass.:
415.5671
SMILES:
CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(ccc23)-c2ccccc2)C1(C)C
Structure:
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