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

NameSMR000195310
Molecular formulaC19H21NO
IUPAC name(E)-3-phenyl-N-(4-phenylbutan-2-yl)prop-2-enamide
Molecular weight279.383
Hydrogen bond acceptor1
Hydrogen bond donor1
XlogP4.3
Synonyms(E)-3-phenyl-N-(4-phenylbutan-2-yl)prop-2-enamide
N-(1-methyl-3-phenylpropyl)-3-phenylacrylamide
ST50563573
MLS000573001
AC1NWJV3
[ Show all ]
Inchi KeyAFUKHYIYQMQJHN-CCEZHUSRSA-N
Inchi IDInChI=1S/C19H21NO/c1-16(12-13-17-8-4-2-5-9-17)20-19(21)15-14-18-10-6-3-7-11-18/h2-11,14-16H,12-13H2,1H3,(H,20,21)/b15-14+
PubChem CID5730620
ChEMBLCHEMBL1583279
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
4517Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
463434Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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