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:

Ligand

NameCHEMBL2114080
Molecular formulaC17H25NO2
IUPAC name(4aS,9aR)-4a-ethyl-6-methoxy-2-propyl-1,3,4,9a-tetrahydro-[1]benzofuro[2,3-c]pyridine
Molecular weight275.392
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.7
SynonymsBDBM50452655
Inchi KeyBGOUDELNHREMBL-IRXDYDNUSA-N
Inchi IDInChI=1S/C17H25NO2/c1-4-9-18-10-8-17(5-2)14-11-13(19-3)6-7-15(14)20-16(17)12-18/h6-7,11,16H,4-5,8-10,12H2,1-3H3/t16-,17-/m0/s1
PubChem CID71452758
ChEMBLCHEMBL2114080
IUPHARN/A
BindingDB50452655
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
23257Kappa-type opioid receptorP33534Oprk1Mus musculus (Mouse)380
23256Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398

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