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

NameCHEMBL493885
Molecular formulaC19H22N6
IUPAC name4-[2-amino-6-[4-(cyclopropylmethyl)piperazin-1-yl]pyrimidin-4-yl]benzonitrile
Molecular weight334.427
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.2
SynonymsSCHEMBL2166515
Inchi KeyDLMAFAFZHGZDTJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H22N6/c20-12-14-3-5-16(6-4-14)17-11-18(23-19(21)22-17)25-9-7-24(8-10-25)13-15-1-2-15/h3-6,11,15H,1-2,7-10,13H2,(H2,21,22,23)
PubChem CID25128827
ChEMBLCHEMBL493885
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
63093Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390
63094Histamine H4 receptorQ91ZY1Hrh4Rattus norvegicus (Rat)391

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