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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

NameCHEMBL2316259
Molecular formulaC25H34N2O2S
IUPAC nameN-(1-adamantyl)-2,3-dimethyl-4-oxo-7-pentylthieno[2,3-b]pyridine-5-carboxamide
Molecular weight426.619
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP6.4
SynonymsBDBM50426082
Inchi KeyAFIXFFULGZXNJF-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H34N2O2S/c1-4-5-6-7-27-14-20(22(28)21-15(2)16(3)30-24(21)27)23(29)26-25-11-17-8-18(12-25)10-19(9-17)13-25/h14,17-19H,4-13H2,1-3H3,(H,26,29)
PubChem CID71563280
ChEMBLCHEMBL2316259
IUPHARN/A
BindingDB50426082
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
EC5034.0 nMPMID23350768BindingDB,ChEMBL
Emax-178.0 %PMID23350768ChEMBL
Ki3.27 nMPMID23350768ChEMBL
Ki3.3 nMPMID23350768BindingDB

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