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

NameAC1ND9AI
Molecular formulaC19H18N2O2S
IUPAC name2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanamide
Molecular weight338.425
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.0
SynonymsAKOS000817885
SMR000342426
HMS2647O11
MolPort-003-207-534
785802-06-4
[ Show all ]
Inchi KeyAHXSRSHNHXYFSK-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H18N2O2S/c1-12(19(20)22)24-18-11-16(13-6-4-3-5-7-13)15-9-8-14(23-2)10-17(15)21-18/h3-12H,1-2H3,(H2,20,22)
PubChem CID4571607
ChEMBLCHEMBL1602227
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
5964Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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