Home Research COVID-19 Services Publications People Teaching Job Opening 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 EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN 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 FASPR

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

NameCHEMBL608129
Molecular formulaC13H15ClN2O2S2
IUPAC nameN-[(1S)-1-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-2-sulfonamide
Molecular weight330.845
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.7
SynonymsBDBM50305941
(S)-N-(1-(4-chlorophenyl)-2-methylpropyl)thiazole-2-sulfonamide
Inchi KeyANVFXULCLQTBRH-LBPRGKRZSA-N
Inchi IDInChI=1S/C13H15ClN2O2S2/c1-9(2)12(10-3-5-11(14)6-4-10)16-20(17,18)13-15-7-8-19-13/h3-9,12,16H,1-2H3/t12-/m0/s1
PubChem CID46226105
ChEMBLCHEMBL608129
IUPHARN/A
BindingDB50305941
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
9924Free fatty acid receptor 2O15552FFAR2Homo sapiens (Human)330

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