Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL116233
Molecular formulaC25H28N2O5
IUPAC name(E)-N-(1-benzylpiperidin-4-yl)-3-phenylprop-2-enamide;(E)-but-2-enedioic acid
Molecular weight436.508
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogPNone
SynonymsN/A
Inchi KeyAFLDFPZVFGTFPO-FBMYCXESSA-N
Inchi IDInChI=1S/C21H24N2O.C4H4O4/c24-21(12-11-18-7-3-1-4-8-18)22-20-13-15-23(16-14-20)17-19-9-5-2-6-10-19;5-3(6)1-2-4(7)8/h1-12,20H,13-17H2,(H,22,24);1-2H,(H,5,6)(H,7,8)/b12-11+;2-1+
PubChem CID44341014
ChEMBLCHEMBL116233
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4259D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443

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