Reaction Details Report a problem with these data
Target
Cannabinoid receptor 2
Ligand
BDBM50029978
Substrate
n/a
Meas. Tech.
ChEMBL_1438384 (CHEMBL3383059)
Ki
0.120000±n/a nM
Citation
 Lucchesi, V; Hurst, DP; Shore, DM; Bertini, S; Ehrmann, BM; Allarà, M; Lawrence, L; Ligresti, A; Minutolo, F; Saccomanni, G; Sharir, H; Macchia, M; Di Marzo, V; Abood, ME; Reggio, PH; Manera, C CB2-selective cannabinoid receptor ligands: synthesis, pharmacological evaluation, and molecular modeling investigation of 1,8-Naphthyridin-2(1H)-one-3-carboxamides. J Med Chem 57:8777-91 (2014) [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:
BDBM50029978
Synonyms:
CHEMBL3353441
Type:
Small organic molecule
Emp. Form.:
C23H23BrFN3O2
Mol. Mass.:
472.35
SMILES:
C[C@H]1CC[C@H](CC1)NC(=O)c1cc2cc(Br)cnc2n(Cc2ccc(F)cc2)c1=O |r,wU:4.7,1.0,(16.02,-5.47,;14.69,-6.25,;14.69,-7.79,;13.37,-8.56,;12.03,-7.79,;12.02,-6.26,;13.35,-5.48,;10.7,-8.57,;9.36,-7.8,;9.35,-6.26,;8.03,-8.58,;6.69,-7.82,;5.37,-8.6,;4.03,-7.83,;2.7,-8.6,;1.37,-7.83,;2.7,-10.15,;4.04,-10.92,;5.37,-10.14,;6.7,-10.91,;6.71,-12.45,;8.04,-13.21,;8.04,-14.75,;9.37,-15.52,;10.71,-14.74,;12.04,-15.51,;10.7,-13.19,;9.36,-12.43,;8.04,-10.13,;9.38,-10.9,)|
Structure:
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