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

NameAC1M63IH
Molecular formulaC24H20BrN3O6S
IUPAC name[2-(4-cyanoanilino)-2-oxoethyl] 4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]benzoate
Molecular weight558.403
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP3.9
SynonymsCHEMBL1422622
SMR000247492
HMS2769B09
[2-(4-cyanoanilino)-2-oxoethyl] 4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]benzoate
MLS000418677
Inchi KeyACWAQXKQRDOLIC-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H20BrN3O6S/c1-2-33-21-12-7-18(25)13-22(21)35(31,32)28-20-10-5-17(6-11-20)24(30)34-15-23(29)27-19-8-3-16(14-26)4-9-19/h3-13,28H,2,15H2,1H3,(H,27,29)
PubChem CID2365610
ChEMBLCHEMBL1422622
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1983Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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