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GPCR

NameCannabinoid receptor 2
SpeciesMus musculus (Mouse)
GeneCnr2
SynonymPeripheral cannabinoid receptor
mCB2
CB2-R
CB2 receptor
CB2
[ Show all ]
DiseaseN/A for non-human GPCRs
Length347
Amino acid sequenceMEGCRETEVTNGSNGGLEFNPMKEYMILSSGQQIAVAVLCTLMGLLSALENMAVLYIILSSRRLRRKPSYLFISSLAGADFLASVIFACNFVIFHVFHGVDSNAIFLLKIGSVTMTFTASVGSLLLTAVDRYLCLCYPPTYKALVTRGRALVALCVMWVLSALISYLPLMGWTCCPSPCSELFPLIPNDYLLGWLLFIAILFSGIIYTYGYVLWKAHRHVATLAEHQDRQVPGIARMRLDVRLAKTLGLVLAVLLICWFPALALMGHSLVTTLSDQVKEAFAFCSMLCLVNSMVNPIIYALRSGEIRSAAQHCLIGWKKYLQGLGPEGKEEGPRSSVTETEADVKTT
UniProtP47936
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5373
IUPHAR57
DrugBankN/A

Ligand

NameCHEMBL116769
Molecular formulaC27H43IO3
IUPAC name(6S,6aR,9R,10aR)-9-(hydroxymethyl)-6-(3-iodopropyl)-6-methyl-3-(2-methyloctan-2-yl)-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol
Molecular weight542.542
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP8.7
Synonyms(6S)-6abeta,7,8,9,10,10aalpha-Hexahydro-6-methyl-3-(1,1-dimethylheptyl)-6beta-(3-iodopropyl)-9beta-(hydroxymethyl)-6H-dibenzo[b,d]pyran-1-ol
BDBM50066710
(6S,6aR,9R,10aR)-3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6-(3-iodo-propyl)-6-methyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1-ol
Inchi KeyFGPMIFWWXRALGV-UOTIDGTBSA-N
Inchi IDInChI=1S/C27H43IO3/c1-5-6-7-8-12-26(2,3)20-16-23(30)25-21-15-19(18-29)10-11-22(21)27(4,13-9-14-28)31-24(25)17-20/h16-17,19,21-22,29-30H,5-15,18H2,1-4H3/t19-,21-,22-,27+/m1/s1
PubChem CID10530534
ChEMBLCHEMBL116769
IUPHARN/A
BindingDB50066710
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
Ki4.3 nMPMID9733485BindingDB,ChEMBL

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