Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER D-I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK D-QUARK DRfold DRfold2 LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO ATGO 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 TCRfinder

TM-score TM-align US-align MM-align RNA-align NW-align LS-align TM-search EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA DeepMSA2 rMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP HPmod 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

NameCHEMBL3731529
Molecular formulaC13H10N4OS2
IUPAC name2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-6-methyl-1,3-benzothiazole
Molecular weight302.37
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.7
SynonymsSCHEMBL16710588
Inchi KeyACLVAVTXGIQTTG-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H10N4OS2/c1-7-3-4-8-10(5-7)19-11(14-8)9-6-17-12(15-9)20-13(16-17)18-2/h3-6H,1-2H3
PubChem CID118070612
ChEMBLCHEMBL3731529
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
521492Proteinase-activated receptor 4Q96RI0F2RL3Homo sapiens (Human)385

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