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

NameCHEMBL609870
Molecular formulaC13H13ClN2OS
IUPAC name(2S)-2-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)butanamide
Molecular weight280.77
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.6
SynonymsBDBM50305920
(S)-2-(4-chlorophenyl)-N-(thiazol-2-yl)butanamide
Inchi KeyHBKJYPZDYYGVDT-NSHDSACASA-N
Inchi IDInChI=1S/C13H13ClN2OS/c1-2-11(9-3-5-10(14)6-4-9)12(17)16-13-15-7-8-18-13/h3-8,11H,2H2,1H3,(H,15,16,17)/t11-/m0/s1
PubChem CID46226334
ChEMBLCHEMBL609870
IUPHARN/A
BindingDB50305920
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
110604Free fatty acid receptor 2O15552FFAR2Homo sapiens (Human)330

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