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

NameCHEMBL492489
Molecular formulaC14H24N4O
IUPAC name4-tert-butyl-2-methoxy-6-(4-methylpiperazin-1-yl)pyrimidine
Molecular weight264.373
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP2.5
SynonymsSCHEMBL2167265
Inchi KeyIQEBZALLHQOKLO-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H24N4O/c1-14(2,3)11-10-12(16-13(15-11)19-5)18-8-6-17(4)7-9-18/h10H,6-9H2,1-5H3
PubChem CID25130581
ChEMBLCHEMBL492489
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
139175Histamine H4 receptorQ91ZY1Hrh4Rattus norvegicus (Rat)391
139176Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390

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