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

NameCHEMBL52919
Molecular formulaC23H21F3N4O2
IUPAC name5-ethyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
Molecular weight442.442
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.5
SynonymsBDBM50217973
N-[6-(2-Methyl-3-pyridinyloxy)-3-pyridinyl]-5-ethyl-6-(trifluoromethyl)indoline-1-carboxamide
Inchi KeyARAFYPRUPJZLKF-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H21F3N4O2/c1-3-15-11-16-8-10-30(19(16)12-18(15)23(24,25)26)22(31)29-17-6-7-21(28-13-17)32-20-5-4-9-27-14(20)2/h4-7,9,11-13H,3,8,10H2,1-2H3,(H,29,31)
PubChem CID44298254
ChEMBLCHEMBL52919
IUPHARN/A
BindingDB50217973
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
122505-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
122515-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
122495-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458

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