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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

NameCHEMBL584528
Molecular formulaC20H21F4NO2
IUPAC name[1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetrafluoro-1-methylcyclobutyl)methanone
Molecular weight383.387
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.0
SynonymsBDBM50303574
SCHEMBL2075666
(2,2,3,3-Tetrafluoro-1-methylcyclobutyl)(1-((tetrahydro-2Hpyran-4-yl)methyl)-1H-indol-3-yl)methanone
Inchi KeyACLHVQFTZBYNIH-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H21F4NO2/c1-18(12-19(21,22)20(18,23)24)17(26)15-11-25(10-13-6-8-27-9-7-13)16-5-3-2-4-14(15)16/h2-5,11,13H,6-10,12H2,1H3
PubChem CID11589048
ChEMBLCHEMBL584528
IUPHARN/A
BindingDB50303574
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity46.0 %PMID19921781ChEMBL
EC50197.0 nMPMID19921781BindingDB,ChEMBL
Ki46.77 nMPMID19921781ChEMBL
Ki47.0 nMPMID19921781BindingDB,ChEMBL

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