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

NameAC1NXSOK
Molecular formulaC17H20N2O
IUPAC name(E)-3-(4-tert-butylphenyl)-2-cyano-N-cyclopropylprop-2-enamide
Molecular weight268.36
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.3
SynonymsSMR000476858
3-(4-tert-butylphenyl)-2-cyano-N-cyclopropylacrylamide
ZINC2758965
MLS001179190
(2E)-3-[4-(tert-butyl)phenyl]-2-cyano-N-cyclopropylprop-2-enamide
[ Show all ]
Inchi KeyAGVTZVWYIIGCFR-JLHYYAGUSA-N
Inchi IDInChI=1S/C17H20N2O/c1-17(2,3)14-6-4-12(5-7-14)10-13(11-18)16(20)19-15-8-9-15/h4-7,10,15H,8-9H2,1-3H3,(H,19,20)/b13-10+
PubChem CID5790752
ChEMBLCHEMBL1887568
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
5265Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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