Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-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 ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

You can:

Ligand

NameCHEMBL489376
Molecular formulaC24H23N5O
IUPAC name(1-benzylbenzimidazol-2-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
Molecular weight397.482
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.3
SynonymsBDBM50264266
(1-benzyl-1H-benzo[d]imidazol-2-yl)(4-(pyridin-4-yl)piperazin-1-yl)methanone
Inchi KeyZBNIJXJQGOXMPG-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H23N5O/c30-24(28-16-14-27(15-17-28)20-10-12-25-13-11-20)23-26-21-8-4-5-9-22(21)29(23)18-19-6-2-1-3-7-19/h1-13H,14-18H2
PubChem CID44579764
ChEMBLCHEMBL489376
IUPHARN/A
BindingDB50264266
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
424463B1 bradykinin receptorQ3BCU0BDKRB1Macaca fascicularis (Crab-eating macaque)352

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417