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GPCR

NameMu-type opioid receptor
SpeciesHomo sapiens (Human)
GeneOPRM1
SynonymhMOP
M-OR-1
MOP
opioid receptor, mu 1
opioid receptor
[ Show all ]
DiseaseDiarrhea
Inflammatory disease
Pain
Major depressive disorder
Migraine
[ Show all ]
Length400
Amino acid sequenceMDSSAAPTNASNCTDALAYSSCSPAPSPGSWVNLSHLDGNLSDPCGPNRTDLGGRDSLCPPTGSPSMITAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIINVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALVTIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSNIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETAPLP
UniProtP35372
Protein Data BankN/A
GPCR-HGmod modelP35372
3D structure modelThis predicted structure model is from GPCR-EXP P35372.
BioLiPN/A
Therapeutic Target DatabaseT47768
ChEMBLCHEMBL233
IUPHAR319
DrugBankBE0000770

Ligand

Namemorphine
Molecular formulaC17H19NO3
IUPAC name(4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
Molecular weight285.343
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP0.8
SynonymsDreamer
(-)Morphine sulfate
Epitope ID:116646
(5R,6S,9R,13S,14R)-4,5-Epoxy-N-methyl-7-morphinen-3,6-diol
LS-91748
[ Show all ]
Inchi KeyBQJCRHHNABKAKU-KBQPJGBKSA-N
Inchi IDInChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
PubChem CID5288826
ChEMBLCHEMBL70
IUPHAR1627
BindingDB50000092
DrugBankDB00295

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
N/A N/ADrugBank
Activity93.0 %PMID16913723, PMID19253983, PMID17887741ChEMBL
Activity103.0 %PMID21235243ChEMBL
EC503.7 nMPMID24900459BindingDB,ChEMBL
EC506.0 nMPMID17616524ChEMBL
EC506.4 nMPMID17616524ChEMBL
EC507.0 nMPMID17616524ChEMBL
EC5010.0 nMPMID25087049BindingDB
EC5010.0 nMPMID25087049ChEMBL
EC5015.6 nMPMID16913723, PMID19253983, PMID17887741ChEMBL
EC5016.0 nMPMID16913723, PMID19253983, PMID17887741BindingDB
EC5034.0 nMN/ABindingDB
EC5039.81 nMPMID24063433ChEMBL
EC5050.0 nMPMID23880538ChEMBL
EC50316.0 nMPMID21235243, PMID17887741BindingDB,ChEMBL
EC50501.19 nMPMID24063433ChEMBL
ED5037.0 nMPMID17625813, PMID20055417ChEMBL
Emax77.0 %PMID22995061ChEMBL
Emax86.0 %PMID17625813, PMID20055417ChEMBL
Emax100.0 %PMID17616524ChEMBL
Emax202.0 %PMID18062664ChEMBL
IC500.57 nMPMID12502358BindingDB
IC500.57 nMPMID12502358ChEMBL
IC501.0 nMPMID11585443BindingDB
IC502.5 nMPMID24171469ChEMBL
IC504.3 nMPMID22995061BindingDB,ChEMBL
IC506.3 nMPMID26789491BindingDB,ChEMBL
Inhibition81.0 %PMID24183585ChEMBL
Inhibition91.0 %PMID23880538ChEMBL
Inhibition98.0 %PMID24183585ChEMBL
Ki0.14 nMPMID22680612BindingDB
Ki0.14 nMPMID22680612ChEMBL
Ki0.32 nMN/ABindingDB
Ki0.53 nMPMID26390077ChEMBL
Ki0.53 nMPMID26390077BindingDB
Ki0.88 nMPMID22439881, PMID16392810, PMID15055988ChEMBL
Ki0.88 nMPMID22439881, PMID16392810, PMID15055988BindingDB
Ki1.0 nMPMID9686407, PMID2549383IUPHAR
Ki1.02 nMPMID7932177BindingDB
Ki1.1 nMPMID16913723, PMID17887741, PMID9686407BindingDB,ChEMBL
Ki1.7 nMPMID18311899ChEMBL
Ki1.8 nMPMID2567782BindingDB,ChEMBL
Ki1.9 nMPMID21621410BindingDB
Ki1.92 nMPMID21621410ChEMBL
Ki2.0 nMPMID7815359BindingDB
Ki2.2 nMPMID24900459, PMID12513698BindingDB,ChEMBL
Ki2.5 nMPMID21621410BindingDB
Ki2.52 nMPMID21621410ChEMBL
Ki2.55 nMPMID19627147, PMID21684752ChEMBL
Ki2.6 nMPMID19627147, PMID21684752, PMID23880358, PMID21570305, PMID25599950, PMID23618710, PMID22341895BindingDB,ChEMBL
Ki3.0 nMPMID12930147BindingDB,ChEMBL
Ki3.96 nMPMID12372519ChEMBL
Ki4.0 nMPMID12372519, PMID17616524BindingDB,ChEMBL
Ki4.6 nMPMID21621410BindingDB,ChEMBL
Ki5.2 nMPMID25062506, MedChemComm, (2016) 7:2:317BindingDB,ChEMBL
Ki14.0 nMPMID8114680BindingDB
Ki17.0 nMPMID12166947, PMID9651168BindingDB,ChEMBL
Ki22.0 nMPMID25494650BindingDB,ChEMBL
Ki38.0 nM, Bioorg. Med. Chem. Lett., (1992) 2:7:715BindingDB,ChEMBL
Log10ED507.13 -PMID18062664ChEMBL
Ratio0.021 -PMID2567782ChEMBL
Ratio265.0 -PMID12502358ChEMBL

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