Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCannabinoid receptor 2
LigandBDBM50029961
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1438384 (CHEMBL3383059)
Ki 94±n/a nM
Citation Lucchesi, VHurst, DPShore, DMBertini, SEhrmann, BMAllarà, MLawrence, LLigresti, AMinutolo, FSaccomanni, GSharir, HMacchia, MDi Marzo, VAbood, MEReggio, PHManera, C CB2-selective cannabinoid receptor ligands: synthesis, pharmacological evaluation, and molecular modeling investigation of 1,8-Naphthyridin-2(1H)-one-3-carboxamides. J Med Chem57:8777-91 (2014) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cannabinoid receptor 2
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:
MEECWVTEIANGSKDGLDSNPMKDYMILSGPQKTAVAVLCTLLGLLSALENVAVLYLILS
SHQLRRKPSYLFIGSLAGADFLASVVFACSFVNFHVFHGVDSKAVFLLKIGSVTMTFTAS
VGSLLLTAIDRYLCLRYPPSYKALLTRGRALVTLGIMWVLSALVSYLPLMGWTCCPRPCS
ELFPLIPNDYLLSWLLFIAFLFSGIIYTYGHVLWKAHQHVASLSGHQDRQVPGMARMRLD
VRLAKTLGLVLAVLLICWFPVLALMAHSLATTLSDQVKKAFAFCSMLCLINSMVNPVIYA
LRSGEIRSSAHHCLAHWKKCVRGLGSEAKEEAPRSSVTETEADGKITPWPDSRDLDLSDC
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50029961
n/a
NameBDBM50029961
Synonyms:CHEMBL3353449
TypeSmall organic molecule
Emp. Form.C27H26FN3O3
Mol. Mass.459.512
SMILESC[C@H]1CC[C@@H](CC1)NC(=O)c1cc2cc(cnc2n(Cc2ccc(F)cc2)c1=O)-c1ccco1 |r,wU:4.7,wD:1.0,(23.36,-18.24,;22.03,-19.01,;20.69,-18.24,;19.36,-19.02,;19.37,-20.55,;20.71,-21.32,;22.03,-20.55,;18.04,-21.33,;16.7,-20.57,;16.69,-19.03,;15.37,-21.34,;14.04,-20.58,;12.71,-21.36,;11.37,-20.59,;10.05,-21.36,;10.04,-22.91,;11.38,-23.68,;12.71,-22.9,;14.05,-23.67,;14.05,-25.21,;15.38,-25.97,;15.38,-27.51,;16.71,-28.28,;18.05,-27.5,;19.38,-28.27,;18.04,-25.96,;16.71,-25.2,;15.38,-22.89,;16.72,-23.66,;8.71,-20.59,;7.3,-21.22,;6.26,-20.08,;7.03,-18.74,;8.54,-19.06,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: