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

Name1-(3-Nitro-benzyl)-4-(4-nitro-phenyl)-piperazine
Molecular formulaC17H18N4O4
IUPAC name1-(4-nitrophenyl)-4-[(3-nitrophenyl)methyl]piperazine
Molecular weight342.355
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.0
Synonyms1-(4-nitrophenyl)-4-[(3-nitrophenyl)methyl]piperazine
AC1MJDVF
BAS 00531298
Oprea1_087612
MLS001212023
[ Show all ]
Inchi KeyACCMGQIBJRYVMD-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H18N4O4/c22-20(23)16-6-4-15(5-7-16)19-10-8-18(9-11-19)13-14-2-1-3-17(12-14)21(24)25/h1-7,12H,8-11,13H2
PubChem CID3110873
ChEMBLCHEMBL1339219
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
1428Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
463135Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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