Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX SSIPe 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 SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL54914
Molecular formulaC15H17N5
IUPAC name7-(4-methylpiperazin-1-yl)-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
Molecular weight267.336
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP2.4
Synonyms6-(4-Methyl-piperazin-1-yl)-pyrido[3,2-e]pyrrolo[1,2-a]pyrazine
6-(4-Methylpiperazino)pyrido[3,2-e]pyrrolo[1,2-a]pyrazine
BDBM50081975
SCHEMBL8562660
Inchi KeyAJVFZHILGGIADJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H17N5/c1-18-8-10-19(11-9-18)15-13-5-3-7-20(13)14-12(17-15)4-2-6-16-14/h2-7H,8-11H2,1H3
PubChem CID19978038
ChEMBLCHEMBL54914
IUPHARN/A
BindingDB50081975
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
72605-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
72615-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
72645-hydroxytryptamine receptor 1DP79400HTR1DSus scrofa (Pig)291
72625-hydroxytryptamine receptor 2AQ75Z89HTR2ABos taurus (Bovine)470
72635-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458

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