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

NameMLS000090902
Molecular formulaC19H21NO4
IUPAC name2-methoxyethyl 3-methyl-4-oxo-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylate
Molecular weight327.38
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.6
SynonymsSR-01000094407
2-methoxyethyl 3-methyl-4-oxo-6-phenyl-5,6,7-trihydroindole-2-carboxylate
4-keto-3-methyl-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylic acid 2-methoxyethyl ester
HMS2295G13
STK405198
[ Show all ]
Inchi KeyAQLXIJYAVMSMFH-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H21NO4/c1-12-17-15(20-18(12)19(22)24-9-8-23-2)10-14(11-16(17)21)13-6-4-3-5-7-13/h3-7,14,20H,8-11H2,1-2H3
PubChem CID3239810
ChEMBLCHEMBL1576132
IUPHARN/A
BindingDB31065
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
118965-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
118935-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
11897Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
11894Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
11895Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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