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

NameCHEMBL494667
Molecular formulaC12H17N7
IUPAC name4-(1H-imidazol-5-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
Molecular weight259.317
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP0.0
SynonymsSCHEMBL2167051
Inchi KeyMCSLSGYTPAVGEY-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H17N7/c1-18-2-4-19(5-3-18)11-6-9(16-12(13)17-11)10-7-14-8-15-10/h6-8H,2-5H2,1H3,(H,14,15)(H2,13,16,17)
PubChem CID25131559
ChEMBLCHEMBL494667
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
202306Histamine H4 receptorQ91ZY1Hrh4Rattus norvegicus (Rat)391
202307Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390

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