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

NameCHEMBL361303
Molecular formulaC21H22FN3O
IUPAC name4-fluoro-N-[1-(1-methylpiperidin-4-yl)indol-6-yl]benzamide
Molecular weight351.425
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.4
SynonymsBenzamide, 4-fluoro-N-[1-(1-methyl-4-piperidinyl)-1H-indol-6-yl]-
4-Fluoro-N-[1-(1-methylpiperidin-4-yl)-1H-indol-6-yl]benzamide
CTK3E1015
AKOS030578067
DTXSID70658719
[ Show all ]
Inchi KeyDKDSMUOEMDNPTM-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H22FN3O/c1-24-11-9-19(10-12-24)25-13-8-15-4-7-18(14-20(15)25)23-21(26)16-2-5-17(22)6-3-16/h2-8,13-14,19H,9-12H2,1H3,(H,23,26)
PubChem CID44395832
ChEMBLCHEMBL361303
IUPHARN/A
BindingDB50156407
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
621155-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
621185-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
621175-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
621165-hydroxytryptamine receptor 1FP30939HTR1FHomo sapiens (Human)366

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