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

NameCHEMBL596676
Molecular formulaC16H22ClN3OS
IUPAC name4-[1-tert-butylsulfanyl-2-(4-chlorophenyl)-2-ethoxyethyl]-1,2,4-triazole
Molecular weight339.882
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.5
SynonymsN/A
Inchi KeyBNTABTHNDACXMC-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H22ClN3OS/c1-5-21-14(12-6-8-13(17)9-7-12)15(22-16(2,3)4)20-10-18-19-11-20/h6-11,14-15H,5H2,1-4H3
PubChem CID46230903
ChEMBLCHEMBL596676
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
28418Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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