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

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX SSIPe 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 SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameAC1MGB6Y
Molecular formulaC17H19N3O4
IUPAC name2-(N-ethylanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
Molecular weight329.356
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.1
SynonymsMLS000582913
CHEMBL1518970
MolPort-002-299-556
HMS2496L06
ZINC4820961
[ Show all ]
Inchi KeyACAYSFZBEWEESJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H19N3O4/c1-3-19(13-7-5-4-6-8-13)12-17(21)18-15-10-9-14(20(22)23)11-16(15)24-2/h4-11H,3,12H2,1-2H3,(H,18,21)
PubChem CID2983415
ChEMBLCHEMBL1518970
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
1392Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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