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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

NameSCHEMBL16211797
Molecular formulaC18H21ClN6S
IUPAC name3-[2-tert-butyl-9-[(3-chloropyridin-2-yl)methyl]purin-6-yl]-1,3-thiazolidine
Molecular weight388.918
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.9
Synonyms3-[2-tert-butyl-9-[(3-chloropyridin-2-yl)methyl]purin-6-yl]-1,3-thiazolidine
AFGZGJOVIOJIEQ-UHFFFAOYSA-N
US9505762, 161
Inchi KeyAFGZGJOVIOJIEQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H21ClN6S/c1-18(2,3)17-22-15(24-7-8-26-11-24)14-16(23-17)25(10-21-14)9-13-12(19)5-4-6-20-13/h4-6,10H,7-9,11H2,1-3H3
PubChem CID117679082
ChEMBLN/A
IUPHARN/A
BindingDB259793
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5012.59 nMN/ABindingDB

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