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

NameCHEMBL1642121
Molecular formulaC25H27N3O4S
IUPAC name6-methoxy-7-(4-methylpiperazin-1-yl)-1-naphthalen-2-ylsulfonyl-2,3-dihydroquinolin-4-one
Molecular weight465.568
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.3
Synonyms6-methoxy-7-(4-methylpiperazin-1-yl)-1-(naphthalen-2-ylsulfonyl)-2,3-dihydroquinolin-4(1H)-one
BDBM50333546
Inchi KeyAMYPFPOCEWHTIS-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H27N3O4S/c1-26-11-13-27(14-12-26)23-17-22-21(16-25(23)32-2)24(29)9-10-28(22)33(30,31)20-8-7-18-5-3-4-6-19(18)15-20/h3-8,15-17H,9-14H2,1-2H3
PubChem CID53321318
ChEMBLCHEMBL1642121
IUPHARN/A
BindingDB50333546
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
93625-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440

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