Reaction Details Report a problem with these data
Target
Cannabinoid receptor 2
Ligand
BDBM50600950
Substrate
n/a
Meas. Tech.
ChEMBL_2235435 (CHEMBL5149207)
Ki
>10000±n/a nM
Citation
 Gündel, D; Deuther-Conrad, W; Ueberham, L; Kaur, S; Otikova, E; Teodoro, R; Toussaint, M; Lai, TH; Clauß, O; Scheunemann, M; Bormans, G; Bachmann, M; Kopka, K; Brust, P; Moldovan, RP Structure-Based Design, Optimization, and Development of [ J Med Chem 65:9034-9049 (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:
BDBM50600950
Synonyms:
CHEMBL5195027
Type:
Small organic molecule
Emp. Form.:
C20H25BrFN3O2
Mol. Mass.:
438.334
SMILES:
CC1CCC(CC1)NC(=O)c1cc2cc(Br)cnc2n(CCCCF)c1=O |(7.33,5.77,;6,5.01,;4.66,5.77,;3.33,5.01,;3.33,3.46,;4.66,2.69,;6,3.46,;2,2.69,;.66,3.46,;.66,5.01,;-.67,2.69,;-2.01,3.46,;-3.34,2.7,;-4.66,3.47,;-6,2.7,;-7.33,3.47,;-6,1.15,;-4.66,.39,;-3.34,1.16,;-2,.39,;-2,-1.15,;-3.33,-1.92,;-3.33,-3.46,;-4.66,-4.24,;-4.66,-5.77,;-.67,1.16,;.67,.39,)|
Structure:
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