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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

NameCHEMBL3401608
Molecular formulaC20H19ClN2O3
IUPAC nameN-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-3-ethyl-1H-indole-2-carboxamide
Molecular weight370.833
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.9
SynonymsBDBM50066815
Inchi KeyAFIJCJLHXUFJCZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H19ClN2O3/c1-2-14-15-10-13(21)4-5-16(15)23-19(14)20(24)22-8-7-12-3-6-17-18(9-12)26-11-25-17/h3-6,9-10,23H,2,7-8,11H2,1H3,(H,22,24)
PubChem CID118728587
ChEMBLCHEMBL3401608
IUPHARN/A
BindingDB50066815
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity>30.0 %PMID25797163ChEMBL
Inhibition25.8 %PMID25797163ChEMBL

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