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

Name2-{1-[(4-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}-N-(4-methylphenyl)acetamide
Molecular formulaC21H24N4O3S
IUPAC name2-[1-[(4-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide
Molecular weight412.508
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP2.0
SynonymsCBKinase1_019737
SR-01000278588
2-[1-[(4-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide
HMS2563G16
STK167401
[ Show all ]
Inchi KeyAAMWVURKZMHDHP-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H24N4O3S/c1-14-3-5-15(6-4-14)23-19(26)13-18-20(27)22-11-12-25(18)21(29)24-16-7-9-17(28-2)10-8-16/h3-10,18H,11-13H2,1-2H3,(H,22,27)(H,23,26)(H,24,29)
PubChem CID2957105
ChEMBLCHEMBL1587963
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
350Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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