Home Research COVID-19 Services Publications People Teaching Job Opening 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 EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN 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 FASPR

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

NameMLS001004438
Molecular formulaC18H16Cl2N2O4
IUPAC name[2-(N-methylanilino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
Molecular weight395.236
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.5
SynonymsSMR000348067
[2-(N-methylanilino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
AC1M8RQO
CHEMBL1344943
BDBM88635
[ Show all ]
Inchi KeyAJDUDPWRLIMVAH-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H16Cl2N2O4/c1-22(13-5-3-2-4-6-13)16(23)11-26-17(24)10-21-18(25)14-8-7-12(19)9-15(14)20/h2-9H,10-11H2,1H3,(H,21,25)
PubChem CID2492526
ChEMBLCHEMBL1344943
IUPHARN/A
BindingDB88635
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
6819Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332

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