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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

NameJTE 907
Molecular formulaC24H26N2O6
IUPAC nameN-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
Molecular weight438.48
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.4
Synonyms7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydro-quinoline-3-carboxylic acid (benzo[1,3]dioxol-5-yl-methyl)-amide
JTE-907
N-(Benzo[d][1,3]dioxol-5-ylmethyl)-2-hydroxy-7-methoxy-8-(pentyloxy)quinoline-3-carboxamide
SCHEMBL3684662
ZINC1548888
[ Show all ]
Inchi KeyGRAJFFFXJYFVOC-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H26N2O6/c1-3-4-5-10-30-22-19(29-2)9-7-16-12-17(24(28)26-21(16)22)23(27)25-13-15-6-8-18-20(11-15)32-14-31-18/h6-9,11-12H,3-5,10,13-14H2,1-2H3,(H,25,27)(H,26,28)
PubChem CID9867770
ChEMBLCHEMBL178372
IUPHARN/A
BindingDB85739
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50<316.23 nMPMID20031412ChEMBL
IC5025.0 nMPMID16539390BindingDB
IC5025.12 nMPMID16539390ChEMBL
IC50644.0 nMPMID24445310ChEMBL
Imax80.0 %PMID16539390ChEMBL
Inhibition129.5 %PMID24445310ChEMBL
Kd158.49 nMPMID20031412ChEMBL
Ki0.087 nMPMID21872477BindingDB,ChEMBL
Ki0.38 nMPMID15664857BindingDB,ChEMBL
Ki1.55 nMPMID15664857BindingDB,ChEMBL
Ki35.9 nMPMID11160626, PMID15664857, PMID21183257BindingDB,ChEMBL
Ki130.0 nMPMID20031412BindingDB,ChEMBL

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