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:

Ligand

NameCHEMBL70226
Molecular formulaC20H20Cl2N2O3
IUPAC name1-[[5-[2-(3,4-dichlorophenyl)acetyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-4-yl]methyl]pyrrolidin-3-one
Molecular weight407.291
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP2.8
SynonymsL003818
1-{5-[2-(3,4-Dichloro-phenyl)-acetyl]-4,5,6,7-tetrahydro-furo[3,2-c]pyridin-4-ylmethyl}-pyrrolidin-3-one
SCHEMBL9636800
BDBM50039099
Inchi KeyAJKUPPVEURAWOP-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H20Cl2N2O3/c21-16-2-1-13(9-17(16)22)10-20(26)24-7-4-19-15(5-8-27-19)18(24)12-23-6-3-14(25)11-23/h1-2,5,8-9,18H,3-4,6-7,10-12H2
PubChem CID14933785
ChEMBLCHEMBL70226
IUPHARN/A
BindingDB50039099
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6992Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380

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