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

NameAC1OBT9D
Molecular formulaC17H19N3OS
IUPAC name1-[(E)-(3-methoxyphenyl)methylideneamino]-3-(2-phenylethyl)thiourea
Molecular weight313.419
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.5
SynonymsMLS001170965
SMR000591745
1-[(E)-(3-methoxyphenyl)methylideneamino]-3-phenethylthiourea
CHEMBL1988501
Inchi KeyADVFVUGGIVBCCS-CPNJWEJPSA-N
Inchi IDInChI=1S/C17H19N3OS/c1-21-16-9-5-8-15(12-16)13-19-20-17(22)18-11-10-14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3,(H2,18,20,22)/b19-13+
PubChem CID6902680
ChEMBLCHEMBL1988501
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
3116Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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