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

NameCHEMBL386990
Molecular formulaC24H31N3O2
IUPAC name3-acetamido-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
Molecular weight393.531
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.8
SynonymsBDBM50191060
3-acetamido-N-(1-phenethylpiperidin-4-yl)-N-phenylpropanamide
Inchi KeyBDDHGMFOOKYNHZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H31N3O2/c1-20(28)25-16-12-24(29)27(22-10-6-3-7-11-22)23-14-18-26(19-15-23)17-13-21-8-4-2-5-9-21/h2-11,23H,12-19H2,1H3,(H,25,28)
PubChem CID44416410
ChEMBLCHEMBL386990
IUPHARN/A
BindingDB50191060
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
20810Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
20811Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
20808Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
20809Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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