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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

NameSCHEMBL2485239
Molecular formulaC24H32Cl2N6O
IUPAC name8-(2-chlorophenyl)-6-(4-ethylpiperazin-1-yl)-2-methyl-9-(oxan-4-ylmethyl)purine;hydrochloride
Molecular weight491.461
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogPNone
SynonymsCHEMBL3092900
AGOHXRYBJHVPSH-UHFFFAOYSA-N
8-(2-chloro-phenyl)-6-(4-ethyl-piperazin-1-yl)-2-methyl-9-(tetrahydro-pyran-4-ylmethyl)-9h-purine hydrochloride salt
Inchi KeyAGOHXRYBJHVPSH-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H31ClN6O.ClH/c1-3-29-10-12-30(13-11-29)23-21-24(27-17(2)26-23)31(16-18-8-14-32-15-9-18)22(28-21)19-6-4-5-7-20(19)25;/h4-7,18H,3,8-16H2,1-2H3;1H
PubChem CID67425523
ChEMBLCHEMBL3092900
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
EC5011.9 nMPMID23795771ChEMBL
Efficacy104.0 %PMID23795771ChEMBL
Ki52.8 nMPMID23795771ChEMBL

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