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

NameSMR000025325
Molecular formulaC19H19N3O2S
IUPAC nameN-(2-ethoxyphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide
Molecular weight353.44
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.8
Synonyms688335-54-8
HMS1419L13
N-(2-ethoxyphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide
BDBM37727
MCULE-7664758161
[ Show all ]
Inchi KeyCXQUZZKPYSHPMV-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H19N3O2S/c1-2-24-17-11-7-6-10-16(17)21-18(23)14-25-19-20-12-13-22(19)15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H,21,23)
PubChem CID3241796
ChEMBLCHEMBL1343699
IUPHARN/A
BindingDB37727
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
53057fMet-Leu-Phe receptorP21462FPR1Homo sapiens (Human)350
53059N-formyl peptide receptor 2P25090FPR2Homo sapiens (Human)351
53058Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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