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

NameSCHEMBL604462
Molecular formulaC17H27N5
IUPAC name4-(1,4-diazepan-1-yl)spiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2-amine
Molecular weight301.438
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.6
SynonymsCHEMBL1077298
Inchi KeyISIGRZUYANUPKO-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H27N5/c18-16-20-14-13(5-3-8-17(14)6-1-2-7-17)15(21-16)22-11-4-9-19-10-12-22/h19H,1-12H2,(H2,18,20,21)
PubChem CID44231619
ChEMBLCHEMBL1077298
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
140713Histamine H4 receptorQ91ZY1Hrh4Rattus norvegicus (Rat)391
140714Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390

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