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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

NameNorbinaltorphimine
Molecular formulaC40H43N3O6
IUPAC name(1S,2S,7S,8S,12R,20R,24R,32R)-11,33-bis(cyclopropylmethyl)-19,25-dioxa-11,22,33-triazaundecacyclo[24.9.1.18,14.01,24.02,32.04,23.05,21.07,12.08,20.030,36.018,37]heptatriaconta-4(23),5(21),14(37),15,17,26,28,30(36)-octaene-2,7,17,27-tetrol
Molecular weight661.799
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP3.2
Synonyms(-)-norbinaltorphimine
4,8:11,15-Dimethano-20H-bisbenzofuro(2,3-a:3',2'-i)dipyrido(4,3-b:3',4'-h)carbazole-1,8a,10a,18-tetrol,7,12-bis(cyclopropylmethyl)-5,6,7,8,9,10,11,12,13,14,19a,20b-dodecahydro-20-methyl-, (8R-(4bR*,8a
CCG-204890
LS-62008
NOR-BNI (HCI)2
[ Show all ]
Inchi KeyAPSUXPSYBJVPPS-YAUKWVCOSA-N
Inchi IDInChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
PubChem CID5480230
ChEMBLCHEMBL573214
IUPHAR1642
BindingDB82551
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Activity200.0 %PMID20568781ChEMBL
EC5018.9 Ke nM-1PMID12672258ChEMBL
EC5019.0 nMPMID12672258BindingDB
EC50120.0 nMPMID20568781BindingDB,ChEMBL
IC50212.0 nMPMID20727752, PMID20719509BindingDB,ChEMBL
Kb32.9 nMPMID21958337ChEMBL
Ke17.0 nMPMID21570305ChEMBL
Ke18.9 nMPMID15456250, PMID12519069, PMID24973818, PMID14640558ChEMBL
Ke19.0 nMPMID12825951, PMID12723940, PMID16366600, PMID12139463ChEMBL
Ke26.0 nMPMID26342544, PMID16509593, PMID17685652, PMID19954245ChEMBL
Ke26.7 nMPMID23651437, PMID20568781ChEMBL
Ki0.94 nMPMID10780914ChEMBL
Ki0.94 nMPMID10780914BindingDB
Ki2.2 nMPMID8114680BindingDB
Ki2.7 nMPMID19027293BindingDB,ChEMBL
Ki18.9 nMPMID11055333ChEMBL
Ki19.0 nMPMID11055333BindingDB
Ki19.9526 nMPMID9686407IUPHAR
Ki21.0 nMPMID12672258, PMID9686407, PMID14640558, PMID12519069, PMID24973818, PMID11055333, PMID15456250, PMID12825951BindingDB,ChEMBL
Ki32.0 nMPMID21958337BindingDB
Ki32.4 nMPMID21958337ChEMBL
Ki56.0 nMPMID10893307BindingDB,ChEMBL
Ki70.0 nMPMID10780914BindingDB,ChEMBL
Ki79.0 nMPMID12747782BindingDB
Ki79.4 nMPMID12747782ChEMBL
Ki79.9 nMPMID21744827ChEMBL
Ki80.0 nMPMID21744827BindingDB
Ratio1.5 -PMID12565965ChEMBL
Ratio5.6 -PMID1849995ChEMBL
Ratio8.3 -PMID1849995ChEMBL

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