Reaction Details Report a problem with these data
Target
Cannabinoid receptor 2
Ligand
BDBM50029974
Substrate
n/a
Meas. Tech.
ChEMBL_1438384 (CHEMBL3383059)
Ki
0.960000±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:
BDBM50029974
Synonyms:
CHEMBL3353446
Type:
Small organic molecule
Emp. Form.:
C27H26FN3O2S
Mol. Mass.:
475.578
SMILES:
C[C@H]1CC[C@H](CC1)NC(=O)c1cc2cc(cnc2n(Cc2ccc(F)cc2)c1=O)-c1cccs1 |r,wD:4.7,1.0,(18.83,-4.26,;17.5,-5.03,;16.16,-4.27,;14.82,-5.04,;14.83,-6.57,;16.18,-7.35,;17.5,-6.57,;13.51,-7.35,;12.17,-6.59,;12.16,-5.05,;10.84,-7.37,;9.5,-6.61,;8.18,-7.38,;6.84,-6.62,;5.51,-7.39,;5.51,-8.93,;6.84,-9.7,;8.18,-8.93,;9.51,-9.69,;9.52,-11.23,;10.85,-12,;10.85,-13.54,;12.18,-14.3,;13.52,-13.53,;14.85,-14.29,;13.51,-11.98,;12.17,-11.22,;10.85,-8.92,;12.18,-9.68,;4.17,-6.62,;2.76,-7.25,;1.73,-6.1,;2.5,-4.76,;4.01,-5.08,)|
Structure:
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