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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

NameCHEMBL558564
Molecular formulaC20H20Cl5N5O
IUPAC name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-1,2,4-triazole-3-carboxamide;dihydrochloride
Molecular weight523.664
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogPNone
SynonymsN/A
Inchi KeyAAUVSTPYMIQTNV-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H18Cl3N5O.2ClH/c21-14-6-4-13(5-7-14)19-24-18(20(29)26-27-10-2-1-3-11-27)25-28(19)17-9-8-15(22)12-16(17)23;;/h4-9,12H,1-3,10-11H2,(H,26,29);2*1H
PubChem CID11272441
ChEMBLCHEMBL558564
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
Ki5444.0 nMPMID15771428ChEMBL

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