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

NameCHEMBL2314768
Molecular formulaC18H21FN6
IUPAC name6-(4-fluorophenyl)-7-methyl-4-(4-methylpiperazin-1-yl)pyrrolo[2,3-d]pyrimidin-2-amine
Molecular weight340.406
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.3
SynonymsBDBM50424317
Inchi KeyAEGRTUFQJWZVMR-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H21FN6/c1-23-7-9-25(10-8-23)17-14-11-15(12-3-5-13(19)6-4-12)24(2)16(14)21-18(20)22-17/h3-6,11H,7-10H2,1-2H3,(H2,20,21,22)
PubChem CID71519499
ChEMBLCHEMBL2314768
IUPHARN/A
BindingDB50424317
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3453Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390

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