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

NameCHEMBL103424
Molecular formulaC16H21N3O
IUPAC nameN-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]acetamide
Molecular weight271.364
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP1.8
SynonymsDXVFIKXMKWRGPL-UHFFFAOYSA-N
BDBM50130427
SCHEMBL7487827
182563-03-7
CTK0E2792
[ Show all ]
Inchi KeyDXVFIKXMKWRGPL-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H21N3O/c1-11(20)18-13-3-4-16-14(9-13)15(10-17-16)12-5-7-19(2)8-6-12/h3-4,9-10,12,17H,5-8H2,1-2H3,(H,18,20)
PubChem CID22611622
ChEMBLCHEMBL103424
IUPHARN/A
BindingDB50130427
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
716805-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
716835-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
716825-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
716815-hydroxytryptamine receptor 1FP30939HTR1FHomo sapiens (Human)366

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