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

NameCHEMBL1552281
Molecular formulaC20H21BrN2O4S
IUPAC name5-bromo-1-(cyclopropanecarbonyl)-N-(4-ethoxyphenyl)-2,3-dihydroindole-7-sulfonamide
Molecular weight465.362
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.3
SynonymsC137-2164
NCGC00104266-01
CCG-26813
EU-0088783
AKOS001763660
[ Show all ]
Inchi KeyACMNTAHVMXPWKE-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H21BrN2O4S/c1-2-27-17-7-5-16(6-8-17)22-28(25,26)18-12-15(21)11-14-9-10-23(19(14)18)20(24)13-3-4-13/h5-8,11-13,22H,2-4,9-10H2,1H3
PubChem CID15987800
ChEMBLCHEMBL1552281
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1700Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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