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

NameCHEMBL57680
Molecular formulaC19H13FN2O6S
IUPAC name3-[5-[(4-fluorophenyl)carbamoyl]-1-oxidopyridin-1-ium-2-yl]sulfonylbenzoic acid
Molecular weight416.379
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP1.4
Synonyms2-(3-Carboxyphenylsulfonyl)-5-(4-fluorophenylaminocarbonyl)pyridine 1-oxide
BDBM50102217
SCHEMBL3221470
3-[5-(4-Fluoro-phenylcarbamoyl)-1-oxy-pyridine-2-sulfonyl]-benzoic acid
Inchi KeyAFLYDJQMACMKQP-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H13FN2O6S/c20-14-5-7-15(8-6-14)21-18(23)13-4-9-17(22(26)11-13)29(27,28)16-3-1-2-12(10-16)19(24)25/h1-11H,(H,21,23)(H,24,25)
PubChem CID21878232
ChEMBLCHEMBL57680
IUPHARN/A
BindingDB50102217
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
4273C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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