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

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

Namefentanyl
Molecular formulaC22H28N2O
IUPAC nameN-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
Molecular weight336.479
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP4.0
SynonymsPDSP1_000860
DSSTox_CID_3049
Propionanilide, N-(1-phenethyl-4-piperidyl)-
Duragesic-25
Subsys (TN)
[ Show all ]
Inchi KeyPJMPHNIQZUBGLI-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3
PubChem CID3345
ChEMBLCHEMBL596
IUPHAR1626
BindingDB50008984
DrugBankDB00813

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501.9 nMPMID21925887BindingDB
IC503.1 nM, PMID1847432, Bioorg. Med. Chem. Lett., (1995) 5:11:1177BindingDB,ChEMBL
IC503.4 nMPMID26323872, PMID23623418BindingDB,ChEMBL
IC503.45 nMPMID20218625BindingDB,ChEMBL
IC509.45 nMPMID26299827ChEMBL
IC509.5 nMPMID26299827BindingDB
IC503400.0 nMPMID26712115BindingDB,ChEMBL
Ki1.0 nMPMID9686407BindingDB
Ki8.45 nMPMID9873603ChEMBL
Ki8.5 nMPMID9873603BindingDB

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