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

NameMLS000589004
Molecular formulaC19H16Cl2F3NO4
IUPAC nameethyl 2-[4-[(3,4-dichlorobenzoyl)-methylamino]phenyl]-3,3,3-trifluoro-2-hydroxypropanoate
Molecular weight450.235
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.7
SynonymsAKOS022107816
CHEMBL1399881
SR-01000636419-1
305866-62-0
HMS2509K05
[ Show all ]
Inchi KeyAHODXFKPPXPQFH-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H16Cl2F3NO4/c1-3-29-17(27)18(28,19(22,23)24)12-5-7-13(8-6-12)25(2)16(26)11-4-9-14(20)15(21)10-11/h4-10,28H,3H2,1-2H3
PubChem CID2817837
ChEMBLCHEMBL1399881
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
5729Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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