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

NameKappa-type opioid receptor
SpeciesCavia porcellus (Guinea pig)
GeneOPRK1
SynonymK-OR-1
KOR-1
DiseaseN/A for non-human GPCRs
Length380
Amino acid sequenceMGRRRQGPAQPASELPARNACLLPNGSAWLPGWAEPDGNGSAGPQDEQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIILGGTKVREDVDIIECSLQFPDDDYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPIKMRMERQSTSRVRNTVQDPAYMRNVDGVNKPV
UniProtP41144
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3952
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
SynonymsCHEMBL573214
NCGC00024547-04
PDSP2_001420
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-, (4bS,8R,8aS,10aS,11R,14aS,19aR,20bR)-
C18130
[ 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
IC506.0 nMPMID1335078BindingDB,ChEMBL
IC50181.0 nMPMID8360887BindingDB,ChEMBL
IC50 ratio49.8 -PMID11405645, PMID10893314ChEMBL
IC50 ratio181.0 -PMID8380614ChEMBL
Ke0.038 nMPMID12723940, PMID12825951ChEMBL
Ke0.07 nMPMID12723940ChEMBL
Ke0.21 nMPMID1849995ChEMBL
Ke0.213 nMPMID11543672ChEMBL
Ke0.368 nMPMID11543672ChEMBL
Ke0.4 nMPMID10893314ChEMBL
Ke0.41 nMPMID11405645, PMID2832604, PMID2838632ChEMBL
Ke0.55 nMPMID1849995ChEMBL
Ke0.56 nMPMID9836606ChEMBL
Ki0.038 nMPMID11495579, PMID9857089ChEMBL
Ki0.038 nMPMID11495579, PMID9857089BindingDB
Ki0.12 nMPMID12565965ChEMBL
Ki0.12 nMPMID12565965BindingDB
Ki0.26 nMPMID1849995BindingDB
Ki0.26 nMPMID1849995ChEMBL
Ki0.28 nMPMID8182708, PMID8380614, PMID9857089ChEMBL
Ki0.28 nMPMID8182708, PMID8380614, PMID9857089BindingDB
Ki0.3 nMPMID9686407BindingDB
Ki0.81 nMPMID11543672ChEMBL
Ki0.81 nMPMID11543672BindingDB
Ki0.861 nMPMID21256034, PMID20685120BindingDB,ChEMBL
Ki1.09 nMPMID14761209, PMID12825951, PMID12139463BindingDB,ChEMBL
Ki1.1 nMPMID12825951BindingDB
Ki1.33 nMPMID14761209ChEMBL
Ki109.0 nMPMID11495579BindingDB,ChEMBL

yangzhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218