Reaction Details
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Cannabinoid receptor 2
Ligand
BDBM50232933
Substrate
n/a
Meas. Tech.
ChEMBL_1649601 (CHEMBL3998735)
IC50
35±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:
BDBM50232933
Synonyms:
CHEMBL4094388
Type:
Small organic molecule
Emp. Form.:
C25H26FN3O2
Mol. Mass.:
419.4912
SMILES:
C[C@H]1CC[C@H](CC1)NC(=O)c1cc(nn(Cc2ccc(F)cc2)c1=O)-c1ccccc1 |r,wU:4.7,1.0,(18.4,-15.46,;17.62,-16.78,;18.37,-18.12,;17.59,-19.44,;16.06,-19.42,;15.29,-18.09,;16.08,-16.77,;15.27,-20.75,;13.73,-20.74,;12.97,-19.4,;12.95,-22.07,;11.4,-22.05,;10.64,-23.39,;11.39,-24.73,;12.93,-24.74,;13.69,-26.08,;12.91,-27.41,;11.37,-27.39,;10.59,-28.71,;11.35,-30.05,;10.57,-31.38,;12.9,-30.06,;13.67,-28.73,;13.71,-23.41,;15.25,-23.42,;9.1,-23.38,;8.32,-24.71,;6.78,-24.7,;6.02,-23.36,;6.79,-22.03,;8.32,-22.03,)|
Structure:
