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

NameSCHEMBL27344
Molecular formulaC20H17ClN2O3S
IUPAC nameN-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-ethylbenzenesulfonamide
Molecular weight400.877
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.7
SynonymsN-[4-chloro-2-(pyridine-4-carbonyl)-phenyl]-4-ethyl-benzenesulfonamide
CHEMBL3719056
FSPDQZIBXCZBTA-UHFFFAOYSA-N
Inchi KeyFSPDQZIBXCZBTA-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H17ClN2O3S/c1-2-14-3-6-17(7-4-14)27(25,26)23-19-8-5-16(21)13-18(19)20(24)15-9-11-22-12-10-15/h3-13,23H,2H2,1H3
PubChem CID10431143
ChEMBLCHEMBL3719056
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
524025C-C chemokine receptor type 9P51686CCR9Homo sapiens (Human)369

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