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

NameN-(2-chlorobenzyl)-N'-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)thiourea
Molecular formulaC21H20ClN3OS
IUPAC name1-[(2-chlorophenyl)methyl]-3-(3-methoxyphenyl)-1-(pyridin-2-ylmethyl)thiourea
Molecular weight397.921
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.3
Synonyms1-[(2-chlorophenyl)methyl]-3-(3-methoxyphenyl)-1-(pyridin-2-ylmethyl)thiourea
AC1N5151
AKOS001775115
CHEMBL1427060
HMS2737P13
[ Show all ]
Inchi KeyAFCHPPIQFHUACT-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H20ClN3OS/c1-26-19-10-6-9-17(13-19)24-21(27)25(15-18-8-4-5-12-23-18)14-16-7-2-3-11-20(16)22/h2-13H,14-15H2,1H3,(H,24,27)
PubChem CID4164401
ChEMBLCHEMBL1427060
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
4034Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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