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

NameBAS 00216743
Molecular formulaC19H14N2OS
IUPAC name3-(4-methylphenyl)-2-thiophen-2-ylquinazolin-4-one
Molecular weight318.394
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.5
Synonyms2-Thiophen-2-yl-3-p-tolyl-3H-quinazolin-4-one
CHEMBL1479320
STK368704
3-(4-methylphenyl)-2-thiophen-2-ylquinazolin-4-one
MolPort-001-918-105
[ Show all ]
Inchi KeyAAASRNHSMGFXGC-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H14N2OS/c1-13-8-10-14(11-9-13)21-18(17-7-4-12-23-17)20-16-6-3-2-5-15(16)19(21)22/h2-12H,1H3
PubChem CID828268
ChEMBLCHEMBL1479320
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
19Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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