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

NameCHEMBL522639
Molecular formulaC17H20N6
IUPAC name6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-benzimidazole
Molecular weight308.389
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.0
SynonymsBDBM50264570
4-[2-(1H-Benzimidazol-5-yl)ethyl]-1-(2-pyrimidinyl)piperazine
6-(2-(4-(pyrimidin-2-yl)piperazin-1-yl)ethyl)-1H-benzo[d]imidazole
Inchi KeyBYBGXCUBCMYKCQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H20N6/c1-5-18-17(19-6-1)23-10-8-22(9-11-23)7-4-14-2-3-15-16(12-14)21-13-20-15/h1-3,5-6,12-13H,4,7-11H2,(H,20,21)
PubChem CID44579933
ChEMBLCHEMBL522639
IUPHARN/A
BindingDB50264570
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
35627D(2) dopamine receptorP20288DRD2Bos taurus (Bovine)444

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