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

Name2-(3-chlorobenzyl)-N-ethyl-N-(2-hydroxyethyl)-1,3-benzoxazole-6-carboxamide
Molecular formulaC19H19ClN2O3
IUPAC name2-[(3-chlorophenyl)methyl]-N-ethyl-N-(2-hydroxyethyl)-1,3-benzoxazole-6-carboxamide
Molecular weight358.822
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.5
SynonymsMCULE-7139375213
SMR000495235
CHEMBL1875837
MLS001000572
ZINC11814361
[ Show all ]
Inchi KeyACNGZUNWRJJRER-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H19ClN2O3/c1-2-22(8-9-23)19(24)14-6-7-16-17(12-14)25-18(21-16)11-13-4-3-5-15(20)10-13/h3-7,10,12,23H,2,8-9,11H2,1H3
PubChem CID23723536
ChEMBLCHEMBL1875837
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
1717Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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