Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameAC1PGOWB
Molecular formulaC20H19NO5S
IUPAC name(5-acetyl-2-ethoxyphenyl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
Molecular weight385.434
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.8
Synonyms(5-acetyl-2-ethoxyphenyl)methyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
(5-acetyl-2-ethoxyphenyl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
876864-82-3
AKOS001214668
CHEMBL1512388
[ Show all ]
Inchi KeyAKESUPIAIZBOMO-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H19NO5S/c1-3-25-17-6-4-13(12(2)22)8-15(17)10-26-20(24)14-5-7-18-16(9-14)21-19(23)11-27-18/h4-9H,3,10-11H2,1-2H3,(H,21,23)
PubChem CID8902540
ChEMBLCHEMBL1512388
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
7476Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
463802Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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