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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

NameCHEMBL478202
Molecular formulaC22H18ClFN4O
IUPAC name3-(2-chloro-4-fluorophenyl)-5-[[(3R)-1-quinolin-3-ylpyrrolidin-3-yl]methyl]-1,2,4-oxadiazole
Molecular weight408.861
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP5.3
SynonymsBDBM50262507
3-((R)-3-((3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl)methyl)pyrrolidin-1-yl)quinoline
Inchi KeyAEKOYIYPZKHXPB-CQSZACIVSA-N
Inchi IDInChI=1S/C22H18ClFN4O/c23-19-11-16(24)5-6-18(19)22-26-21(29-27-22)9-14-7-8-28(13-14)17-10-15-3-1-2-4-20(15)25-12-17/h1-6,10-12,14H,7-9,13H2/t14-/m1/s1
PubChem CID44578142
ChEMBLCHEMBL478202
IUPHARN/A
BindingDB50262507
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
EC50140.0 nMPMID18640038BindingDB,ChEMBL
Emax109.0 %PMID18640038ChEMBL

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