Reaction Details Report a problem with these data
Target
Cannabinoid receptor 2
Ligand
BDBM50303527
Substrate
n/a
Meas. Tech.
ChEMBL_2262393 (CHEMBL5217404)
Ki
0.830000±n/a nM
Citation
 Callis, TB; Garrett, TR; Montgomery, AP; Danon, JJ; Kassiou, M Recent Scaffold Hopping Applications in Central Nervous System Drug Discovery. J Med Chem 65:13483-13504 (2022) [PubMed] 
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:
BDBM50303527
Synonyms:
(2,2,3,3-Tetramethylcyclopropyl)(1-(4,4,4-trifluorobutyl)-1Hindol-3-yl)methanone | CHEMBL569082
Type:
Small organic molecule
Emp. Form.:
C20H24F3NO
Mol. Mass.:
351.4059
SMILES:
CC1(C)C(C(=O)c2cn(CCCC(F)(F)F)c3ccccc23)C1(C)C
Structure:
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