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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

Namenaltrexone
Molecular formulaC20H23NO4
IUPAC name(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Molecular weight341.407
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP1.9
SynonymsPDSP2_000847
BRD-K88172511-003-21-1
ReVia
CHEBI:7465
UNII-5S6W795CQM
[ Show all ]
Inchi KeyDQCKKXVULJGBQN-XFWGSAIBSA-N
Inchi IDInChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
PubChem CID5360515
ChEMBLCHEMBL19019
IUPHAR1639
BindingDB60212, 50000787
DrugBankDB00704

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
N/A N/ADrugBank
Activity0.0 %PMID19217280ChEMBL
EC500.38 nMPMID23721804ChEMBL
EC500.59 Ke nM-1PMID12672258ChEMBL
EC500.59 nMPMID12825957, PMID12672258BindingDB
EC500.59 nMPMID12825957ChEMBL
EC5016.0 nMPMID19282177BindingDB,ChEMBL
Emax6.7 %PMID17407276ChEMBL
Emax7.18 %PMID23721804ChEMBL
Emax7.2 %PMID24144240ChEMBL
Emax7.75 %PMID23116124, PMID21788135ChEMBL
Emax14.0 %PMID19282177ChEMBL
IC500.59 nMPMID17004724ChEMBL
IC500.59 nMPMID17004724BindingDB
IC503.9 nMPMID24055076ChEMBL
IC504.083 nMDrugMatrix in vitro pharmacology dataChEMBL
IC504.1 nMPMID17149859, PMID17149858BindingDB,ChEMBL
IC504.8 nMPMID19282177BindingDB,ChEMBL
IC508.9 nM, None, PMID23682308BindingDB,ChEMBL
IC5015.5 nMPMID25783191ChEMBL
IC5016.0 nMPMID25783191BindingDB
IC5017.0 nMPMID17407276BindingDB,ChEMBL
IC50 ratio98.0 -PMID1851846ChEMBL
Imax79.0 %PMID17407276ChEMBL
Imax93.0 %PMID19282177ChEMBL
Kb0.59 nMPMID17980586ChEMBL
Kd0.05012 nMPMID18298057ChEMBL
Ke0.05 nMPMID18298057ChEMBL
Ke0.34 nMPMID21247164ChEMBL
Ke0.59 nMPMID16913723, PMID15456250, PMID19253983, PMID17887741, PMID24973818ChEMBL
Ke3.35 nMPMID16366600ChEMBL
Ke3.6 nMPMID17685652, PMID21116435ChEMBL
Ke5.4 nMPMID17887741ChEMBL
Ki0.07 nMPMID21621410BindingDB
Ki0.07 nMPMID21621410ChEMBL
Ki0.11 nMPMID15808478, PMID19282177, PMID19027293BindingDB
Ki0.11 nMPMID15808478, PMID19282177, PMID19027293ChEMBL
Ki0.199 - 0.71 nMPMID9686407, PMID24973897IUPHAR
Ki0.1995 nMPMID26632862ChEMBL
Ki0.199526 nMPMID26632862BindingDB
Ki0.2 nMPMID16913723, PMID19253983, PMID12672258, PMID12825957, PMID17887741, PMID9686407, PMID17004724, PMID15456250, PMID24973818BindingDB,ChEMBL
Ki0.2 nMPMID16913723, PMID19253983, PMID12672258, PMID12825957, PMID17887741, PMID17004724, PMID24973818, PMID15456250BindingDB
Ki0.23 nMPMID17407276BindingDB
Ki0.23 nMPMID17407276ChEMBL
Ki0.26 nMPMID19199782, PMID24144240, PMID19217280ChEMBL
Ki0.26 nMPMID19199782, PMID19217280BindingDB
Ki0.2754 nMPMID26632862ChEMBL
Ki0.275423 nMPMID26632862BindingDB
Ki0.3 nMPMID19683449, PMID18298057ChEMBL
Ki0.3 nMPMID19683449BindingDB
Ki0.34 nMPMID23721804ChEMBL
Ki0.45 nMPMID25513968BindingDB
Ki0.45 nMPMID25513968ChEMBL
Ki0.56 nMPMID9767649BindingDB,ChEMBL
Ki0.59 nMPMID17720493BindingDB
Ki0.59 nMPMID17720493ChEMBL
Ki0.7 nM, None, PMID23682308BindingDB,ChEMBL
Ki0.74 nMPMID12513698BindingDB
Ki0.87 nMPMID17980586, PMID17720493BindingDB
Ki0.87 nMPMID17980586, PMID17720493ChEMBL
Ki1.0 nMPMID17149858, PMID17149859, PMID8114680BindingDB,ChEMBL
Ki1.15 nMPMID21621410ChEMBL
Ki1.2 nMPMID21621410BindingDB
Ki1.5 nMPMID7815359BindingDB
Ki1.657 nMDrugMatrix in vitro pharmacology dataChEMBL
Ki1.85 nMPMID24055076ChEMBL
Ki1.995 nMPMID21193310ChEMBL
Ki2.0 nMPMID21193310BindingDB
Ki2.7 nMPMID21621410BindingDB
Ki2.71 nMPMID21621410ChEMBL
Ki3.6 nMPMID19683449BindingDB,ChEMBL
Ratio0.03 -PMID1851846ChEMBL

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