Reaction Details Report a problem with these data
Target
Cannabinoid receptor 2
Ligand
BDBM50029977
Substrate
n/a
Meas. Tech.
ChEMBL_1438384 (CHEMBL3383059)
Ki
3.8±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:
BDBM50029977
Synonyms:
CHEMBL3353443
Type:
Small organic molecule
Emp. Form.:
C30H30FN3O3
Mol. Mass.:
499.5759
SMILES:
COc1ccc(cc1)-c1cnc2n(Cc3ccc(F)cc3)c(=O)c(cc2c1)C(=O)NC1CCC(C)CC1 |(1.51,-.38,;1.51,-1.92,;2.85,-2.68,;4.18,-1.91,;5.51,-2.68,;5.51,-4.22,;4.19,-4.99,;2.86,-4.23,;6.85,-4.99,;6.85,-6.54,;8.18,-7.31,;9.52,-6.53,;10.85,-7.3,;10.85,-8.84,;12.19,-9.6,;12.19,-11.14,;13.52,-11.91,;14.85,-11.13,;16.19,-11.9,;14.85,-9.59,;13.51,-8.83,;12.19,-6.52,;13.52,-7.29,;12.18,-4.97,;10.84,-4.21,;9.51,-4.99,;8.18,-4.22,;13.51,-4.2,;13.5,-2.66,;14.84,-4.96,;16.17,-4.18,;17.51,-4.95,;18.84,-4.18,;18.84,-2.64,;20.17,-1.87,;17.5,-1.87,;16.16,-2.65,)|
Structure:
Search PDB for entries with ligand similarity: