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

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX SSIPe 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 SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameAC1OWPG0
Molecular formulaC18H15N3O6S
IUPAC name[2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate
Molecular weight401.393
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP2.4
SynonymsMLS001138408
CHEMBL1591870
MolPort-004-673-455
HMS3028B16
ZINC6486497
[ Show all ]
Inchi KeyACCWXHUEZYHVFI-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H15N3O6S/c1-2-25-18(24)15-11(13-4-3-7-26-13)10-28-16(15)21-14(22)9-27-17(23)12-8-19-5-6-20-12/h3-8,10H,2,9H2,1H3,(H,21,22)
PubChem CID7985822
ChEMBLCHEMBL1591870
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
1440Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413

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