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

NameCHEMBL2260626
Molecular formulaC16H14N2O
IUPAC name(NE)-N-[1-(1H-indol-2-yl)-2-phenylethylidene]hydroxylamine
Molecular weight250.301
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP3.9
SynonymsN/A
Inchi KeyCKXWOHJWALENJF-FBMGVBCBSA-N
Inchi IDInChI=1S/C16H14N2O/c19-18-16(10-12-6-2-1-3-7-12)15-11-13-8-4-5-9-14(13)17-15/h1-9,11,17,19H,10H2/b18-16+
PubChem CID136224301
ChEMBLCHEMBL2260626
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5586495-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
5586505-hydroxytryptamine receptor 2BP30994Htr2bRattus norvegicus (Rat)479
5586485-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460

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