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

NameCHEMBL64493
Molecular formulaC24H21N3O2S
IUPAC name(7-phenylmethoxyindol-1-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
Molecular weight415.511
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.0
SynonymsBDBM50038784
(7-Benzyloxy-indol-1-yl)-((R)-2-pyridin-3-yl-thiazolidin-4-yl)-methanone; compound with oxalic acid
CHEMBL1179198
Inchi KeyBJENIYJBEWYWPI-AJZOCDQUSA-N
Inchi IDInChI=1S/C24H21N3O2S/c28-24(20-16-30-23(26-20)19-9-5-12-25-14-19)27-13-11-18-8-4-10-21(22(18)27)29-15-17-6-2-1-3-7-17/h1-14,20,23,26H,15-16H2/t20-,23?/m0/s1
PubChem CID10476962
ChEMBLN/A
IUPHARN/A
BindingDB50038784
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
519812Platelet-activating factor receptorP21556PTAFRCavia porcellus (Guinea pig)342

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