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

NameCHEMBL299726
Molecular formulaC20H17ClN4O2
IUPAC name6-chloro-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-2,3-dihydroindole-1-carboxamide
Molecular weight380.832
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.5
SynonymsN-[6-(2-Methyl-3-pyridinyloxy)-3-pyridinyl]-6-chloroindoline-1-carboxamide
6-Chloro-2,3-dihydro-indole-1-carboxylic acid [6-(2-methyl-pyridin-3-yloxy)-pyridin-3-yl]-amide
6-chloro-N-(6-(2-methylpyridin-3-yloxy)pyridin-3-yl)indoline-1-carboxamide
BDBM50321891
Inchi KeyAGVPOFROVYICOD-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H17ClN4O2/c1-13-18(3-2-9-22-13)27-19-7-6-16(12-23-19)24-20(26)25-10-8-14-4-5-15(21)11-17(14)25/h2-7,9,11-12H,8,10H2,1H3,(H,24,26)
PubChem CID44298142
ChEMBLCHEMBL299726
IUPHARN/A
BindingDB50321891
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
52605-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
52625-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
52615-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417