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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

NameCHEMBL1762420
Molecular formulaC18H28N4O4
IUPAC nameN-(5-tert-butyl-1,2-oxazol-3-yl)-4-(oxolane-3-carbonyl)-1,4-diazepane-1-carboxamide
Molecular weight364.446
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.2
SynonymsSCHEMBL10253463
BDBM50341001
N-(5-tert-butylisoxazol-3-yl)-4-(tetrahydrofuran-3-carbonyl)-1,4-diazepane-1-carboxamide
Inchi KeyADIUSHICVCCMIJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H28N4O4/c1-18(2,3)14-11-15(20-26-14)19-17(24)22-7-4-6-21(8-9-22)16(23)13-5-10-25-12-13/h11,13H,4-10,12H2,1-3H3,(H,19,20,24)
PubChem CID54583926
ChEMBLCHEMBL1762420
IUPHARN/A
BindingDB50341001
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity100.0 %PMID21354795ChEMBL
EC502300.0 nMPMID21354795BindingDB,ChEMBL

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