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 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

NameMLS002166510
Molecular formulaC24H26O7
IUPAC name(2-oxooxolan-3-yl) 2-(3,4-dipropoxybenzoyl)benzoate
Molecular weight426.465
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.9
SynonymsHMS3065K17
AKOS016858859
MolPort-003-249-986
2-(3,4-dipropoxybenzoyl)benzoic acid (2-ketotetrahydrofuran-3-yl) ester
CHEMBL1483683
[ Show all ]
Inchi KeyAPUOHHVGNOQUIR-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H26O7/c1-3-12-28-19-10-9-16(15-21(19)29-13-4-2)22(25)17-7-5-6-8-18(17)23(26)31-20-11-14-30-24(20)27/h5-10,15,20H,3-4,11-14H2,1-2H3
PubChem CID5024835
ChEMBLCHEMBL1483683
IUPHARN/A
BindingDB79595
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
11387Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
11386Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
11385Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417