Reaction Details
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Cannabinoid receptor 2
Ligand
BDBM50232938
Substrate
n/a
Meas. Tech.
ChEMBL_1649599 (CHEMBL3998733)
Ki
2±n/a nM
Citation
Ragusa, G; Gómez-Cañas, M; Morales, P; Rodríguez-Cueto, C; Pazos, MR; Asproni, B; Cichero, E; Fossa, P; Pinna, GA; Jagerovic, N; Fernández-Ruiz, J; Murineddu, G New pyridazinone-4-carboxamides as new cannabinoid receptor type-2 inverse agonists: Synthesis, pharmacological data and molecular docking. Eur J Med Chem 127:398-412 (2017) [PubMed] Article More Info.:
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:
BDBM50232938
Synonyms:
CHEMBL4088509
Type:
Small organic molecule
Emp. Form.:
C26H27ClFN3O2
Mol. Mass.:
467.963
SMILES:
C[C@H]1CC[C@H](CC1)NC(=O)c1cc(nn(Cc2ccc(F)cc2)c1=O)-c1ccc(Cl)c(C)c1 |r,wU:4.7,1.0,(53.55,-14.07,;52.76,-15.39,;53.52,-16.73,;52.74,-18.05,;51.2,-18.03,;50.43,-16.7,;51.22,-15.38,;50.42,-19.36,;48.88,-19.35,;48.12,-18.01,;48.1,-20.68,;46.55,-20.66,;45.78,-21.99,;46.55,-23.33,;48.08,-23.34,;48.84,-24.68,;48.06,-26.01,;46.52,-26,;45.74,-27.32,;46.5,-28.66,;45.72,-29.99,;48.05,-28.67,;48.82,-27.34,;48.86,-22.02,;50.4,-22.03,;44.25,-21.99,;43.48,-20.64,;41.94,-20.64,;41.16,-21.97,;39.62,-21.96,;41.93,-23.31,;41.15,-24.64,;43.47,-23.32,)|
Structure:
