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 DMFold 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

NameNociceptin receptor
SpeciesCavia porcellus (Guinea pig)
GeneOPRL1
SynonymKappa-type 3 opioid receptor
KOR-3
Orphanin FQ receptor
XOR
DiseaseN/A for non-human GPCRs
Length370
Amino acid sequenceMESLFPAPFWEVLYGSHLQGNLSLLSPNHSGLPPHLLLNASHSAFLPLGLKVTIVGLYLAVCIGGLLGNCLVMYVILRHTKMKTATNIYIFNLALADTLVLLTLPFQATDILLGFWPFGNTLCKTVIAIDYYNMFTSTFTLTAMSVDRYVAICHPIRALDVRTSSKAQAVNVAIWALALVVGVPVAIMGSAQVEDEEIECLVEIPDPQDYWGPVFAVSIFLFSFIIPVLIISVCYSLMIRRLHGVRLLSGSREKDRNLRRITRLVLVVVAVFVGCWTPVQVFVLVQGLGVQPGSETTVAILRFCTALGYVNSCLNPILYAFLDENFKACFRKFCCASALHREMQVSDRVRSIAKDVALGCKTTETVPRPA
UniProtP47748
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5492
IUPHARN/A
DrugBankN/A

Ligand

NameMM3A6S
Molecular formulaC20H23NO7S
IUPAC name[(4R,4aR,7S,7aR,12bS)-9-acetyloxy-3,3-dimethyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-yl] sulfate
Molecular weight421.464
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP0.5
SynonymsCHEMBL379928
BDBM50189250
D02YXR
Inchi KeyQNHZSCHPVZZALI-BKRJIHRRSA-N
Inchi IDInChI=1S/C20H23NO7S/c1-11(22)26-15-6-4-12-10-14-13-5-7-16(28-29(23,24)25)19-20(13,8-9-21(14,2)3)17(12)18(15)27-19/h4-7,13-14,16,19H,8-10H2,1-3H3/t13-,14+,16-,19-,20-/m0/s1
PubChem CID10454860
ChEMBLCHEMBL379928
IUPHARN/A
BindingDB50189250
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki400.0 nMPMID16777416BindingDB,ChEMBL

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