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

NameSCHEMBL15169489
Molecular formulaC20H23ClN4O4S
IUPAC name1-[5-chloro-4-(3-methylpyridin-2-yl)pyridin-2-yl]-N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methylazetidine-3-carboxamide
Molecular weight450.938
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP0.7
SynonymsUS9056865, A-69
BDBM162942
Inchi KeyBDIUPYVIEMNOIL-IAGOWNOFSA-N
Inchi IDInChI=1S/C20H23ClN4O4S/c1-12-4-3-5-22-19(12)14-6-18(23-7-15(14)21)25-8-13(9-25)20(27)24(2)16-10-30(28,29)11-17(16)26/h3-7,13,16-17,26H,8-11H2,1-2H3/t16-,17-/m1/s1
PubChem CID89736183
ChEMBLN/A
IUPHARN/A
BindingDB162942
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
557925Smoothened homologQ99835SMOHomo sapiens (Human)787

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