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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

NameSCHEMBL17557708
Molecular formulaC33H28Cl2N4O2
IUPAC name4-[[3-[[6-[bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino]pyrrolidin-1-yl]methyl]benzoic acid
Molecular weight583.513
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP5.5
SynonymsAGWQRTBAQIHKRT-UHFFFAOYSA-N
BDBM143611
US9682955, 14
4-[[3-([6-[bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino)pyrrolidin-1-yl]methyl]benzoic acid
Inchi KeyAGWQRTBAQIHKRT-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H28Cl2N4O2/c34-26-10-5-22(6-11-26)31(23-7-12-27(35)13-8-23)25-9-14-30-29(17-25)32(37-20-36-30)38-28-15-16-39(19-28)18-21-1-3-24(4-2-21)33(40)41/h1-14,17,20,28,31H,15-16,18-19H2,(H,40,41)(H,36,37,38)
PubChem CID118916186
ChEMBLN/A
IUPHARN/A
BindingDB143611
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
EC508700.0 nMN/ABindingDB

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