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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

NameSCHEMBL17557600
Molecular formulaC35H32Cl2N4O2
IUPAC name4-[2-[4-[[6-[bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino]piperidin-1-yl]ethyl]benzoic acid
Molecular weight611.567
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP6.3
SynonymsAEPJBNFEMSLARU-UHFFFAOYSA-N
BDBM143609
US9682955, 10
4-[2-[4-([6-[bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino)piperidin-1-yl]ethyl]benzoic acid
Inchi KeyAEPJBNFEMSLARU-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H32Cl2N4O2/c36-28-10-5-24(6-11-28)33(25-7-12-29(37)13-8-25)27-9-14-32-31(21-27)34(39-22-38-32)40-30-16-19-41(20-17-30)18-15-23-1-3-26(4-2-23)35(42)43/h1-14,21-22,30,33H,15-20H2,(H,42,43)(H,38,39,40)
PubChem CID118916085
ChEMBLN/A
IUPHARN/A
BindingDB143609
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
EC50998.0 nMN/ABindingDB

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