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 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

NameSCHEMBL343613
Molecular formulaC20H17ClN2O5S2
IUPAC nameN-[4-chloro-2-(2-methylpyridine-4-carbonyl)phenyl]-4-methylsulfonylbenzenesulfonamide
Molecular weight464.935
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.5
SynonymsN-[4-Chloro-2-(2-methyl-pyridine-4-carbonyl)-phenyl]-4-methanesulfonyl-benzenesulfonamide
CHEMBL3714927
HTNDACHVFIJNRL-UHFFFAOYSA-N
Inchi KeyHTNDACHVFIJNRL-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H17ClN2O5S2/c1-13-11-14(9-10-22-13)20(24)18-12-15(21)3-8-19(18)23-30(27,28)17-6-4-16(5-7-17)29(2,25)26/h3-12,23H,1-2H3
PubChem CID10253911
ChEMBLCHEMBL3714927
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
525119C-C chemokine receptor type 9P51686CCR9Homo sapiens (Human)369

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