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

NameCHEMBL1734241
Molecular formulaC18H19F3N4O4S2
IUPAC name2-[[2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetyl]amino]thiophene-3-carboxamide
Molecular weight476.489
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP2.1
Synonyms870698-01-4
MolPort-005-325-151
Z31017859
2-(2-(4-(2-(trifluoromethyl)phenylsulfonyl)piperazin-1-yl)acetamido)thiophene-3-carboxamide
MCULE-7093763854
[ Show all ]
Inchi KeyAAAZRMGPBSWFDK-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H19F3N4O4S2/c19-18(20,21)13-3-1-2-4-14(13)31(28,29)25-8-6-24(7-9-25)11-15(26)23-17-12(16(22)27)5-10-30-17/h1-5,10H,6-9,11H2,(H2,22,27)(H,23,26)
PubChem CID16231644
ChEMBLCHEMBL1734241
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
22Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
462975Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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