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

NameSCHEMBL343349
Molecular formulaC24H23ClN4O4S
IUPAC name4-(4-acetylpiperazin-1-yl)-N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide
Molecular weight498.982
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.3
SynonymsHTUHBIWBZUBZRB-UHFFFAOYSA-N
CHEMBL3718943
4-(4-Acetyl-piperazin-1-yl)-N-[4-chloro-2-(pyridine-4-carbonyl)-phenyl]-benzenesulfonamide
Inchi KeyHTUHBIWBZUBZRB-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H23ClN4O4S/c1-17(30)28-12-14-29(15-13-28)20-3-5-21(6-4-20)34(32,33)27-23-7-2-19(25)16-22(23)24(31)18-8-10-26-11-9-18/h2-11,16,27H,12-15H2,1H3
PubChem CID59788680
ChEMBLCHEMBL3718943
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
525134C-C chemokine receptor type 9P51686CCR9Homo sapiens (Human)369

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