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GPCR

NameCannabinoid receptor 2
SpeciesHomo sapiens (Human)
GeneCNR2
SynonymPeripheral cannabinoid receptor
rCB2
hCB2
cannabinoid receptor 2 (macrophage)
cannabinoid receptor 2 (spleen)
[ Show all ]
DiseaseImmune disorder
Inflammatory bowel disease
Inflammatory disease
Neuropathic pain
Osteoporosis
[ Show all ]
Length360
Amino acid sequenceMEECWVTEIANGSKDGLDSNPMKDYMILSGPQKTAVAVLCTLLGLLSALENVAVLYLILSSHQLRRKPSYLFIGSLAGADFLASVVFACSFVNFHVFHGVDSKAVFLLKIGSVTMTFTASVGSLLLTAIDRYLCLRYPPSYKALLTRGRALVTLGIMWVLSALVSYLPLMGWTCCPRPCSELFPLIPNDYLLSWLLFIAFLFSGIIYTYGHVLWKAHQHVASLSGHQDRQVPGMARMRLDVRLAKTLGLVLAVLLICWFPVLALMAHSLATTLSDQVKKAFAFCSMLCLINSMVNPVIYALRSGEIRSSAHHCLAHWKKCVRGLGSEAKEEAPRSSVTETEADGKITPWPDSRDLDLSDC
UniProtP34972
Protein Data Bank5zty
GPCR-HGmod modelP34972
3D structure modelThis structure is from PDB ID 5zty.
BioLiPBL0438927
Therapeutic Target DatabaseT37693
ChEMBLCHEMBL253
IUPHAR57
DrugBankBE0000095

Ligand

NameCHEMBL590615
Molecular formulaC19H20FNO
IUPAC nameN-[2-(3-fluorophenyl)ethyl]-5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-4-amine
Molecular weight297.373
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.0
SynonymsBDBM50305341
8-(3''-Fluorophenethyl)amino-4-oxapentacyclo[5.4.1.02,6.03,10.05,9.08,11]dodecane
Inchi KeyCWYDYWFZPBTTIM-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H20FNO/c20-9-3-1-2-8(6-9)4-5-21-19-16-11-7-10-12-13(11)17(19)15(12)18(22-19)14(10)16/h1-3,6,10-18,21H,4-5,7H2
PubChem CID46225029
ChEMBLCHEMBL590615
IUPHARN/A
BindingDB50305341
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Inhibition>50.0 %PMID19954972ChEMBL

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