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

NameSCHEMBL606187
Molecular formulaC16H25N5
IUPAC name4-piperazin-1-ylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2-amine
Molecular weight287.411
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.3
SynonymsCHEMBL1089389
Inchi KeyKDDNKKJTDXCQIA-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H25N5/c17-15-19-13-12(4-3-7-16(13)5-1-2-6-16)14(20-15)21-10-8-18-9-11-21/h18H,1-11H2,(H2,17,19,20)
PubChem CID44205247
ChEMBLCHEMBL1089389
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
166280Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390
166281Histamine H4 receptorQ91ZY1Hrh4Rattus norvegicus (Rat)391

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