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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

NameCHEMBL600426
Molecular formulaC23H35NO
IUPAC name(6aR,10aR)-N,N,6,6,9-pentamethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-amine
Molecular weight341.539
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP7.4
SynonymsBDBM50306521
(6aR,10aR)-N,N,6,6,9-pentamethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-amine
Inchi KeyAGYFBALDFWJXGI-RTBURBONSA-N
Inchi IDInChI=1S/C23H35NO/c1-7-8-9-10-17-14-20(24(5)6)22-18-13-16(2)11-12-19(18)23(3,4)25-21(22)15-17/h13-15,18-19H,7-12H2,1-6H3/t18-,19-/m1/s1
PubChem CID46232547
ChEMBLCHEMBL600426
IUPHARN/A
BindingDB50306521
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<3000.0 nMPMID20079638BindingDB,ChEMBL

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