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

NameMu-type opioid receptor
SpeciesMus musculus (Mouse)
GeneOprm1
Synonymopioid receptor, mu 1
opioid receptor
OP3
Mu receptor
MOR-1
[ Show all ]
DiseaseN/A for non-human GPCRs
Length398
Amino acid sequenceMDSSAGPGNISDCSDPLAPASCSPAPGSWLNLSHVDGNQSDPCGPNRTGLGGSHSLCPQTGSPSMVTAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGNILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIVNVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSARIRQNTREHPSTANTVDRTNHQLENLEAETAPLP
UniProtP42866
Protein Data Bank4dkl, 5c1m, 6dde, 6ddf
GPCR-HGmod modelN/A
3D structure modelThis structure is from PDB ID 4dkl.
BioLiPBL0416752, BL0416751, BL0321492, BL0224753, BL0224754, BL0224755,BL0224756, BL0321491
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2858
IUPHAR319
DrugBankN/A

Ligand

NameCHEMBL2147920
Molecular formulaC25H23F3N2O2
IUPAC name(1R,14S,15R)-25-methyl-9-(trifluoromethyl)-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3,5,7,9,11,17(22),18,20-octaene-14,20-diol
Molecular weight440.466
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.3
SynonymsBDBM50391607
CHEMBL2220032
Inchi KeyCQJGLYPYRSUYPN-WXFUMESZSA-N
Inchi IDInChI=1S/C25H23F3N2O2/c1-30-8-7-23-13-21-15(9-17-18(25(26,27)28)3-2-4-20(17)29-21)12-24(23,32)22(30)10-14-5-6-16(31)11-19(14)23/h2-6,9,11,22,31-32H,7-8,10,12-13H2,1H3/t22-,23-,24-/m1/s1
PubChem CID71456465
ChEMBLN/A
IUPHARN/A
BindingDB50391607
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Ki61.01 nMPMID22967810BindingDB

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