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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

NameCHEMBL2153673
Molecular formulaC28H27Cl2N5O3S
IUPAC name(2S)-2-[[[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-[(4-chlorophenyl)sulfonylamino]methylidene]amino]-2-cyclobutylacetamide
Molecular weight584.516
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.6
SynonymsBDBM50392285
Inchi KeyAAXPOBDAMCGNNF-JKGBFCRXSA-N
Inchi IDInChI=1S/C28H27Cl2N5O3S/c29-21-11-9-20(10-12-21)25-24(18-5-2-1-3-6-18)17-35(33-25)28(32-26(27(31)36)19-7-4-8-19)34-39(37,38)23-15-13-22(30)14-16-23/h1-3,5-6,9-16,19,24,26H,4,7-8,17H2,(H2,31,36)(H,32,34)/t24?,26-/m0/s1
PubChem CID71449530
ChEMBLCHEMBL2153673
IUPHARN/A
BindingDB50392285
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50<1000.0 nMPMID22959249BindingDB,ChEMBL

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