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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

NameCHEMBL572080
Molecular formulaC30H29ClN4O2
IUPAC name2-[[(2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]amino]-2-methyl-N-(5-phenyl-1,2-oxazol-3-yl)propanamide
Molecular weight513.038
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP6.2
SynonymsBDBM50301045
2-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-ylamino)-2-methyl-N-(5-phenylisoxazol-3-yl)propanamide
Inchi KeyAARCRFRELZYFFF-RXFWQSSRSA-N
Inchi IDInChI=1S/C30H29ClN4O2/c1-20(26(17-21-12-14-25(31)15-13-21)24-11-7-8-22(16-24)19-32)34-30(2,3)29(36)33-28-18-27(37-35-28)23-9-5-4-6-10-23/h4-16,18,20,26,34H,17H2,1-3H3,(H,33,35,36)/t20-,26+/m0/s1
PubChem CID45487350
ChEMBLCHEMBL572080
IUPHARN/A
BindingDB50301045
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
IC502312.0 nMPMID19632830BindingDB,ChEMBL

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