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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

NameCHEMBL3669096
Molecular formulaC23H22FN5O2
IUPAC nameN-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(8-methoxy-2-methylquinolin-5-yl)-1,3,5-triazin-2-amine
Molecular weight419.46
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.0
SynonymsBDBM176647
US9115121, US9115121, 39
Inchi KeyADWNPCKKPAZCGE-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H22FN5O2/c1-14-4-9-17-18(10-11-19(30-2)20(17)26-14)21-27-22(29-23(28-21)31-3)25-13-12-15-5-7-16(24)8-6-15/h4-11H,12-13H2,1-3H3,(H,25,27,28,29)
PubChem CID118986969
ChEMBLCHEMBL3669096
IUPHARN/A
BindingDB176647
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5038.0 nM, NoneBindingDB,ChEMBL

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