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 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

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

NameSMR000095170
Molecular formulaC15H12N2O3S2
IUPAC name2-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]-N-phenylacetamide
Molecular weight332.392
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.5
Synonyms2-[(1,1-dioxido-1,2-benzothiazol-3-yl)sulfanyl]-N-phenylacetamide
CHEMBL1547321
MolPort-027-807-374
2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]sulfanyl]-N-phenyl-ethanamide
HMS1388E16
[ Show all ]
Inchi KeyAGHRALKGLMEALT-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H12N2O3S2/c18-14(16-11-6-2-1-3-7-11)10-21-15-12-8-4-5-9-13(12)22(19,20)17-15/h1-9H,10H2,(H,16,18)
PubChem CID5307202
ChEMBLCHEMBL1547321
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
463478Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218