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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

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GPCR

NameMu-type opioid receptor
SpeciesCavia porcellus (Guinea pig)
GeneOPRM1
SynonymM-OR-1
MOR-1
DiseaseN/A for non-human GPCRs
Length98
Amino acid sequenceYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKTVNVCNWI
UniProtP97266
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4354
IUPHARN/A
DrugBankN/A

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
SynonymsNOR-BNI (HCI)2
(-)-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
[ 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
Activity14.0 -PMID1849995ChEMBL
IC508.3 nMPMID8360887BindingDB,ChEMBL
IC5018.0 nMPMID1335078BindingDB,ChEMBL
IC50 ratio2.6 -PMID11405645, PMID10893314ChEMBL
IC50 ratio8.3 -PMID8380614ChEMBL
Ke0.572 nMPMID12747782ChEMBL
Ke12.5 nMPMID11405645, PMID2838632ChEMBL
Ke13.0 nMPMID10893314, PMID2832604ChEMBL
Ke13.7 nMPMID9836606ChEMBL
Ke14.0 nMPMID1849995ChEMBL
Ke15.8 nMPMID12723940ChEMBL
Ke16.7 nMPMID12825951ChEMBL
Ke16.75 nMPMID12723940ChEMBL
Ke22.0 nMPMID1849995ChEMBL
Ke26.1 nMPMID11543672ChEMBL
Ki8.3 nMPMID9686407BindingDB
Ki14.8 nMPMID12565965ChEMBL
Ki15.0 nMPMID12565965BindingDB
Ki16.7 nMPMID11495579ChEMBL
Ki16.75 nMPMID9857089ChEMBL
Ki17.0 nMPMID11495579, PMID9857089BindingDB
Ki28.2 nMPMID21256034, PMID20685120BindingDB,ChEMBL
Ki28.4 nMPMID11543672BindingDB,ChEMBL
Ki47.0 nMPMID8182708, PMID1849995, PMID9857089, PMID8380614BindingDB,ChEMBL
Ki47.2 nMPMID9857089ChEMBL

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