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

NameCHEMBL493261
Molecular formulaC13H23N5
IUPAC name6-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
Molecular weight249.362
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.8
SynonymsAKOS006056700
Inchi KeyHSRNCGXLIVAXQJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H23N5/c1-13(2,3)10-9-11(14)16-12(15-10)18-7-5-17(4)6-8-18/h9H,5-8H2,1-4H3,(H2,14,15,16)
PubChem CID25133971
ChEMBLCHEMBL493261
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
123064Histamine H4 receptorQ91ZY1Hrh4Rattus norvegicus (Rat)391
123065Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390

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