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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

NameSCHEMBL17557608
Molecular formulaC34H30Cl2N4O5S
IUPAC name2-[4-[4-[[6-[bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino]piperidin-1-yl]sulfonylphenoxy]acetic acid
Molecular weight677.597
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP7.5
SynonymsBDBM143620
US9682955, 3
Inchi KeyAEIRXXZCCCQMDL-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H30Cl2N4O5S/c35-25-6-1-22(2-7-25)33(23-3-8-26(36)9-4-23)24-5-14-31-30(19-24)34(38-21-37-31)39-27-15-17-40(18-16-27)46(43,44)29-12-10-28(11-13-29)45-20-32(41)42/h1-14,19,21,27,33H,15-18,20H2,(H,41,42)(H,37,38,39)
PubChem CID118916093
ChEMBLN/A
IUPHARN/A
BindingDB143620
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
EC503432.0 nMN/ABindingDB

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