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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

NameSCHEMBL16222656
Molecular formulaC20H23ClN6O2S
IUPAC name6-[2-tert-butyl-9-[(3-chloropyridin-2-yl)methyl]purin-6-yl]-2lambda6-thia-6-azaspiro[3.3]heptane 2,2-dioxide
Molecular weight446.954
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP2.4
SynonymsAELZTFHFDZRLAS-UHFFFAOYSA-N
US9505762, 162
6-[2-tert-butyl-9-[(3-chloropyridin-2-yl)methyl]purin-6-yl]-2lambda6-thia-6-azaspiro[3.3]heptane 2,2-dioxide
Inchi KeyAELZTFHFDZRLAS-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H23ClN6O2S/c1-19(2,3)18-24-16-15(23-12-26(16)7-14-13(21)5-4-6-22-14)17(25-18)27-8-20(9-27)10-30(28,29)11-20/h4-6,12H,7-11H2,1-3H3
PubChem CID117687337
ChEMBLN/A
IUPHARN/A
BindingDB259794
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5070.1 nMN/ABindingDB

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