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GPCR

NameCannabinoid receptor 2
SpeciesRattus norvegicus (Rat)
GeneCnr2
SynonymPeripheral cannabinoid receptor
CB2-R
CB2 receptor
CB2
CB-2
[ Show all ]
DiseaseN/A for non-human GPCRs
Length360
Amino acid sequenceMAGCRELELTNGSNGGLEFNPMKEYMILSDAQQIAVAVLCTLMGLLSALENVAVLYLILSSQRLRRKPSYLFIGSLAGADFLASVIFACNFVIFHVFHGVDSRNIFLLKIGSVTMTFTASVGSLLLTAVDRYLCLCYPPTYKALVTRGRALVALGVMWVLSALISYLPLMGWTCCPSPCSELFPLIPNDYLLGWLLFIAILFSGIIYTYGYVLWKAHQHVASLAEHQDRQVPGIARMRLDVRLAKTLGLVMAVLLICWFPALALMGHSLVTTLSDKVKEAFAFCSMLCLVNSMINPIIYALRSGEIRSAAQHCLTGWKKYLQGLGSEGKEEAPKSSVTETEAEVKTTTGPGSRTPGCSNC
UniProtQ9QZN9
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2470
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL1210779
Molecular formulaC31H35Cl3N4O4S
IUPAC name1-[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2-methylsulfonylethyl)pyrrole-2-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide
Molecular weight666.055
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.1
SynonymsBDBM50323003
1''-(5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(2-(methylsulfonyl)ethyl)-1H-pyrrole-2-carbonyl)-1,4''-bipiperidine-4''-carboxamide
Inchi KeyGCJWVHHCXCAOLA-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H35Cl3N4O4S/c1-43(41,42)18-17-38-27(29(39)36-15-11-31(12-16-36,30(35)40)37-13-3-2-4-14-37)20-25(24-10-9-23(33)19-26(24)34)28(38)21-5-7-22(32)8-6-21/h5-10,19-20H,2-4,11-18H2,1H3,(H2,35,40)
PubChem CID25055546
ChEMBLCHEMBL1210779
IUPHARN/A
BindingDB50323003
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
Inhibition26.0 %PMID20584609ChEMBL

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