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

NameSMR000031065
Molecular formulaC17H21N3O4S
IUPAC name3-(2-methoxyethyl)-4-oxo-N-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide
Molecular weight363.432
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP0.8
Synonyms3-(2-methoxyethyl)-4-oxo-N-((tetrahydrofuran-2-yl)methyl)-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
CHEMBL1506739
Oprea1_541278
422527-90-0
HMS2455B23
[ Show all ]
Inchi KeyAGWLIFWXFLPKGZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H21N3O4S/c1-23-8-6-20-16(22)13-5-4-11(9-14(13)19-17(20)25)15(21)18-10-12-3-2-7-24-12/h4-5,9,12H,2-3,6-8,10H2,1H3,(H,18,21)(H,19,25)
PubChem CID3244336
ChEMBLCHEMBL1506739
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
463516Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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