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

NameCHEMBL15855
Molecular formulaC26H33N5O2
IUPAC name4-(1H-indol-3-yl)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide
Molecular weight447.583
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.4
Synonyms4-(1H-Indol-3-yl)-piperidine-1-carboxylic acid [4-methoxy-3-(4-methyl-piperazin-1-yl)-phenyl]-amide
SCHEMBL6342285
BDBM50086111
N-[3-(4-Methylpiperazino)-4-methoxyphenyl]-4-(1H-indole-3-yl)piperidine-1-carboxamide
Inchi KeyRATYOZVXDGPQTC-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H33N5O2/c1-29-13-15-30(16-14-29)24-17-20(7-8-25(24)33-2)28-26(32)31-11-9-19(10-12-31)22-18-27-23-6-4-3-5-21(22)23/h3-8,17-19,27H,9-16H2,1-2H3,(H,28,32)
PubChem CID9824884
ChEMBLCHEMBL15855
IUPHARN/A
BindingDB50086111
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2916365-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
2916375-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
2916355-hydroxytryptamine receptor 1DP28565Htr1dRattus norvegicus (Rat)374

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