Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

You can:

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

NameCHEMBL462593
Molecular formulaC28H40FNO2
IUPAC name(5Z,8Z,11Z,14Z)-19-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]nonadeca-5,8,11,14-tetraenamide
Molecular weight441.631
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP6.8
SynonymsBDBM50247115
(R,5Z,8Z,11Z,14Z)-19-(3-fluorophenyl)-N-(1-hydroxypropan-2-yl)nonadeca-5,8,11,14-tetraenamide
Inchi KeyBPFKKKXJXMTOMR-OGKKXEKVSA-N
Inchi IDInChI=1S/C28H40FNO2/c1-25(24-31)30-28(32)22-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-19-26-20-18-21-27(29)23-26/h2,4-5,7-8,10-11,13,18,20-21,23,25,31H,3,6,9,12,14-17,19,22,24H2,1H3,(H,30,32)/b4-2-,7-5-,10-8-,13-11-/t25-/m1/s1
PubChem CID44563693
ChEMBLCHEMBL462593
IUPHARN/A
BindingDB50247115
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki987.3 nMPMID18723350BindingDB,ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417