Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX 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 NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameSMR000127622
Molecular formulaC22H26N2O
IUPAC nameN-cyclohexyl-2-(2,3-dihydroindol-1-yl)-2-phenylacetamide
Molecular weight334.463
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.9
SynonymsAC1MVC4P
ChemDiv3_007731
MLS000522354
CHEMBL1439195
MolPort-007-586-854
[ Show all ]
Inchi KeyADZLVMLREIHPHR-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H26N2O/c25-22(23-19-12-5-2-6-13-19)21(18-10-3-1-4-11-18)24-16-15-17-9-7-8-14-20(17)24/h1,3-4,7-11,14,19,21H,2,5-6,12-13,15-16H2,(H,23,25)
PubChem CID3680932
ChEMBLCHEMBL1439195
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3258Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
3259Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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