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

NameAC1OITFY
Molecular formulaC16H11ClN2O
IUPAC nameN-[(Z)-2-(4-chlorophenyl)-1-cyanoethenyl]benzamide
Molecular weight282.727
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.7
SynonymsSMR000162612
CHEMBL1351675
N-[(Z)-2-(4-chlorophenyl)-1-cyanoethenyl]benzamide
ZINC13116678
HMS2283C10
[ Show all ]
Inchi KeyAHSNLKHGVOXYOY-GDNBJRDFSA-N
Inchi IDInChI=1S/C16H11ClN2O/c17-14-8-6-12(7-9-14)10-15(11-18)19-16(20)13-4-2-1-3-5-13/h1-10H,(H,19,20)/b15-10-
PubChem CID7285118
ChEMBLCHEMBL1351675
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
5852Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
5853Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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