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

NameCHEMBL1632411
Molecular formulaC15H19N3O
IUPAC name(NZ)-N-[1H-indol-2-yl-(1-methylpiperidin-4-yl)methylidene]hydroxylamine
Molecular weight257.337
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.8
SynonymsN/A
Inchi KeyMQAUVLYNYCPXHD-ICFOKQHNSA-N
Inchi IDInChI=1S/C15H19N3O/c1-18-8-6-11(7-9-18)15(17-19)14-10-12-4-2-3-5-13(12)16-14/h2-5,10-11,16,19H,6-9H2,1H3/b17-15-
PubChem CID136192886
ChEMBLCHEMBL1632411
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
563984Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
563986Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
563983Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445
563985Histamine H4 receptorQ91ZY1Hrh4Rattus norvegicus (Rat)391
563987Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390
563988Histamine H4 receptorQ91ZY2Hrh4Mus musculus (Mouse)391

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