Reaction Details Report a problem with these data
Target
Cannabinoid receptor 2
Ligand
BDBM50169953
Substrate
n/a
Meas. Tech.
ChEMBL_564385 (CHEMBL962380)
Ki
14±n/a nM
Citation
 Ferreira, AM; Krishnamurthy, M; Moore, BM; Finkelstein, D; Bashford, D Quantitative structure-activity relationship (QSAR) for a series of novel cannabinoid derivatives using descriptors derived from semi-empirical quantum-chemical calculations. Bioorg Med Chem 17:2598-606 (2009) [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:
BDBM50169953
Synonyms:
(6aR,10aR)-3-Adamantan-2-yl-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol | AM-744 | CHEMBL371167
Type:
Small organic molecule
Emp. Form.:
C26H34O2
Mol. Mass.:
378.547
SMILES:
CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1C2CC3CC(C2)CC1C3 |r,wU:5.5,wD:4.3,t:1,TLB:11:18:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.27:18,25:23:20:27.26.18,25:26:20:24.22.23,(23.06,6.7,;23.06,5.15,;21.72,4.37,;21.72,2.82,;23.06,2.06,;24.39,2.82,;24.39,4.37,;25.72,2.06,;27.05,2.82,;27.06,4.36,;28.38,2.04,;28.37,.5,;27.03,-.26,;25.71,.52,;24.38,-.25,;23.05,.52,;21.55,.13,;22.64,-.97,;29.71,-.28,;29.72,-1.77,;28.51,-3.06,;30.02,-2.63,;31.43,-3.2,;32.45,-1.92,;31.05,-2.27,;32.47,-.38,;31.06,.2,;30.01,-1.04,)|
Structure:
Search PDB for entries with ligand similarity: