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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

NameCHEMBL2381793
Molecular formulaC25H31ClN4O2
IUPAC name2-(2-chlorophenyl)-N-cycloheptyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
Molecular weight454.999
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP6.4
SynonymsN/A
Inchi KeyBEVZFANGLKCLRI-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H31ClN4O2/c1-2-3-10-15-29-17-20(24(31)27-18-11-6-4-5-7-12-18)25(32)30-23(29)16-22(28-30)19-13-8-9-14-21(19)26/h8-9,13-14,16-18H,2-7,10-12,15H2,1H3,(H,27,31)
PubChem CID71681041
ChEMBLCHEMBL2381793
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity53.0 %PMID23697626ChEMBL
Activity69.0 %PMID23697626ChEMBL
Ki10.3 nMPMID23697626ChEMBL

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