Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameSMR000030980
Molecular formulaC18H24N4O2S
IUPAC name6-morpholin-4-yl-3-(2-pyrrolidin-1-ylethyl)-2-sulfanylidene-1H-quinazolin-4-one
Molecular weight360.476
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.5
Synonyms6-morpholin-4-yl-3-(2-pyrrolidin-1-ylethyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
AC1MMBU7
MLS000095426
MLS002588591
CHEMBL1327884
[ Show all ]
Inchi KeyABZJJNYCDSEYKI-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H24N4O2S/c23-17-15-13-14(21-9-11-24-12-10-21)3-4-16(15)19-18(25)22(17)8-7-20-5-1-2-6-20/h3-4,13H,1-2,5-12H2,(H,19,25)
PubChem CID3236299
ChEMBLCHEMBL1327884
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
1336Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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