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

NameCHEMBL280297
Molecular formulaC28H22F3N3O2
IUPAC name5-methoxy-N-(3-phenyl-5-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
Molecular weight489.498
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.7
Synonyms5-Methoxy-1-[5-phenyl-3-(pyrid-3-yl)phenylcarbamoyl]-6-trifluoromethyl Indoline
SCHEMBL7041275
AQKLFYUGEBTKMZ-UHFFFAOYSA-N
5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-carboxylic acid (5-pyridin-3-yl-biphenyl-3-yl)-amide
BDBM50086057
[ Show all ]
Inchi KeyAQKLFYUGEBTKMZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H22F3N3O2/c1-36-26-15-19-9-11-34(25(19)16-24(26)28(29,30)31)27(35)33-23-13-21(18-6-3-2-4-7-18)12-22(14-23)20-8-5-10-32-17-20/h2-8,10,12-17H,9,11H2,1H3,(H,33,35)
PubChem CID10767350
ChEMBLCHEMBL280297
IUPHARN/A
BindingDB50086057
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
118535-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
118555-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
118545-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458

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