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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

NameCHEMBL2205617
Molecular formulaC21H20F4N2O3S
IUPAC name2-fluoro-N-[3-(piperidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-(trifluoromethyl)benzamide
Molecular weight456.456
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50402874
Inchi KeyAAKPJTRCQRGFJX-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H20F4N2O3S/c22-14-6-4-5-13(21(23,24)25)17(14)18(28)26-19-16(12-7-10-30-11-15(12)31-19)20(29)27-8-2-1-3-9-27/h4-6H,1-3,7-11H2,(H,26,28)
PubChem CID71454145
ChEMBLCHEMBL2205617
IUPHARN/A
BindingDB50402874
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5014.0 nMPMID23147076BindingDB,ChEMBL
Efficacy103.0 %PMID23147076ChEMBL

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