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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

NameCHEMBL464916
Molecular formulaC21H27N3O
IUPAC nameN-(cyclobutylmethyl)-6-(3-methylanilino)-4-propan-2-ylpyridine-3-carboxamide
Molecular weight337.467
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.8
SynonymsSCHEMBL4648518
ADRKPMOHIQQDOV-UHFFFAOYSA-N
N-Cyclobutylmethyl-4-isopropyl-6-m-tolylamino-nicotinamide
Inchi KeyADRKPMOHIQQDOV-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H27N3O/c1-14(2)18-11-20(24-17-9-4-6-15(3)10-17)22-13-19(18)21(25)23-12-16-7-5-8-16/h4,6,9-11,13-14,16H,5,7-8,12H2,1-3H3,(H,22,24)(H,23,25)
PubChem CID44570121
ChEMBLCHEMBL464916
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5050.12 nMPMID19010671ChEMBL
Efficacy87.0 %PMID19010671ChEMBL

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