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

NameCHEMBL492288
Molecular formulaC15H18IN5
IUPAC name4-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
Molecular weight395.248
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.4
SynonymsSCHEMBL2167116
Inchi KeyBAYLIQRBSWHOFX-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H18IN5/c1-20-6-8-21(9-7-20)14-10-13(18-15(17)19-14)11-2-4-12(16)5-3-11/h2-5,10H,6-9H2,1H3,(H2,17,18,19)
PubChem CID25131231
ChEMBLCHEMBL492288
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
19307Histamine H4 receptorQ91ZY1Hrh4Rattus norvegicus (Rat)391
19308Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390

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