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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

NameCHEMBL3401612
Molecular formulaC21H21Cl2N3O
IUPAC name(5-chloro-3-ethyl-1H-indol-2-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone
Molecular weight402.319
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP5.5
SynonymsBDBM50066831
Inchi KeyADJAEKRETOSJPM-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H21Cl2N3O/c1-2-17-18-13-15(23)5-8-19(18)24-20(17)21(27)26-11-9-25(10-12-26)16-6-3-14(22)4-7-16/h3-8,13,24H,2,9-12H2,1H3
PubChem CID118728590
ChEMBLCHEMBL3401612
IUPHARN/A
BindingDB50066831
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity>30.0 %PMID25797163ChEMBL
Inhibition-31.1 %PMID25797163ChEMBL

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