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

NameCHEMBL1079731
Molecular formulaC18H18N4S2
IUPAC nameN-[2-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-1,3-benzothiazol-2-amine
Molecular weight354.49
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.5
SynonymsSCHEMBL14000798
Inchi KeyALPQYURZBRREHP-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H18N4S2/c1-2-7-16-15(6-1)22-18(24-16)19-9-8-13-4-3-5-14(12-13)21-17-20-10-11-23-17/h1-7,12H,8-11H2,(H,19,22)(H,20,21)
PubChem CID46879525
ChEMBLCHEMBL1079731
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
8486Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384

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