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

NameMLS001199446
Molecular formulaC17H13FO5S
IUPAC name3-(4-fluoro-3-methylphenyl)sulfonyl-7-hydroxy-8-methylchromen-2-one
Molecular weight348.344
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.4
SynonymsAKOS001812404
MLS-0323357.0001
3-(4-fluoranyl-3-methyl-phenyl)sulfonyl-8-methyl-7-oxidanyl-chromen-2-one
CHEMBL1532646
ZINC6736739
[ Show all ]
Inchi KeyHLGILKFCTLIAPA-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H13FO5S/c1-9-7-12(4-5-13(9)18)24(21,22)15-8-11-3-6-14(19)10(2)16(11)23-17(15)20/h3-8,19H,1-2H3
PubChem CID20864499
ChEMBLCHEMBL1532646
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
477425Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593
117867Thyrotropin-releasing hormone receptorP34981TRHRHomo sapiens (Human)398

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