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

NameCHEMBL161147
Molecular formulaC23H24ClN3O2
IUPAC nameN-(2-chloropyridin-3-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide
Molecular weight409.914
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.4
SynonymsFuran-3-carboxylic acid (2-chloro-pyridin-3-yl)-(1-phenethyl-piperidin-4-yl)-amide
SCHEMBL10644522
BDBM50017414
Inchi KeyAGXOWHFNWHJFGU-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H24ClN3O2/c24-22-21(7-4-12-25-22)27(23(28)19-11-16-29-17-19)20-9-14-26(15-10-20)13-8-18-5-2-1-3-6-18/h1-7,11-12,16-17,20H,8-10,13-15H2
PubChem CID14330375
ChEMBLCHEMBL161147
IUPHARN/A
BindingDB50017414
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
5321Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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