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

NameCHEMBL58619
Molecular formulaC19H15FN2O4S
IUPAC name6-benzylsulfonyl-N-(4-fluorophenyl)-1-oxidopyridin-1-ium-3-carboxamide
Molecular weight386.397
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.9
SynonymsSCHEMBL3228272
BDBM50102226
N-(4-Fluoro-phenyl)-1-oxy-6-phenylmethanesulfonyl-nicotinamide
2-(Benzylsulfonyl)-5-(4-fluorophenylaminocarbonyl)pyridine 1-oxide
Inchi KeyXUNMHDBDUOUNHX-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H15FN2O4S/c20-16-7-9-17(10-8-16)21-19(23)15-6-11-18(22(24)12-15)27(25,26)13-14-4-2-1-3-5-14/h1-12H,13H2,(H,21,23)
PubChem CID10200147
ChEMBLCHEMBL58619
IUPHARN/A
BindingDB50102226
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
401266C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
401264C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360
401265Calcitonin receptorP30988CALCRHomo sapiens (Human)508
401262Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
401261Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447
401263Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384

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