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

Name2-{[(3,4-dimethoxyphenyl)sulfonyl]anilino}-N-propylacetamide
Molecular formulaC19H24N2O5S
IUPAC name2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-propylacetamide
Molecular weight392.47
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.8
SynonymsMLS000547900
AO-081/42097188
SMR000113672
HMS2344N18
AC1LY7GV
[ Show all ]
Inchi KeyAPHNXWKNVWJHLS-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H24N2O5S/c1-4-12-20-19(22)14-21(15-8-6-5-7-9-15)27(23,24)16-10-11-17(25-2)18(13-16)26-3/h5-11,13H,4,12,14H2,1-3H3,(H,20,22)
PubChem CID1815793
ChEMBLCHEMBL1604578
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
10972Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413

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