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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

NameCHEMBL3353830
Molecular formulaC21H19N5S
IUPAC name2-[(5-butyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]benzonitrile
Molecular weight373.478
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.3
SynonymsBDBM50040910
SCHEMBL14812696
Inchi KeyAGBWHQMJVOFDLZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H19N5S/c1-2-3-12-26-18-11-7-6-10-17(18)19-20(26)23-21(25-24-19)27-14-16-9-5-4-8-15(16)13-22/h4-11H,2-3,12,14H2,1H3
PubChem CID71539800
ChEMBLCHEMBL3353830
IUPHARN/A
BindingDB50040910
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50106.0 nMPMID25487422BindingDB,ChEMBL

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