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

NameCHEMBL337124
Molecular formulaC23H27FN2O6
IUPAC name(Z)-but-2-enedioic acid;2-(4-fluorophenyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]ethanone;hydrate
Molecular weight446.475
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogPNone
SynonymsN/A
Inchi KeyHDLHUSDCHOGWOI-FJOGWHKWSA-N
Inchi IDInChI=1S/C19H21FN2O.C4H4O4.H2O/c20-18-3-1-15(2-4-18)13-19(23)17-7-11-22(12-8-17)14-16-5-9-21-10-6-16;5-3(6)1-2-4(7)8;/h1-6,9-10,17H,7-8,11-14H2;1-2H,(H,5,6)(H,7,8);1H2/b;2-1-;
PubChem CID44357701
ChEMBLCHEMBL337124
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
112065D(2) dopamine receptorP61168Drd2Mus musculus (Mouse)444

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