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

NameBDBM50054356
Molecular formulaC19H25N5O4
IUPAC name1-hydroxy-2-[3-[4-(4-nitrophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-one
Molecular weight387.44
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP1.6
Synonyms2-{3-[4-(4-Nitro-phenyl)-piperazin-1-yl]-propyl}-tetrahydro-pyrrolo[1,2-c]imidazole-1,3-dione
Inchi KeyACFRJYPCQVVKOZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H25N5O4/c25-18-17-3-1-9-22(17)19(26)23(18)10-2-8-20-11-13-21(14-12-20)15-4-6-16(7-5-15)24(27)28/h4-7,25H,1-3,8-14H2
PubChem CID53635235
ChEMBLN/A
IUPHARN/A
BindingDB50054356
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
15275-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
1526D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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