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

NameCHEMBL485284
Molecular formulaC25H27N5O4
IUPAC name1-benzyl-N-[3-oxo-3-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)propyl]benzimidazole-2-carboxamide
Molecular weight461.522
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP1.9
SynonymsBDBM50264714
1-Benzyl-1H-benzoimidazole-2-carboxylic acid [3-oxo-3-(2-oxo-1-oxa-3,8-diaza-spiro[4.5]dec-8-yl)-propyl]-amide
Inchi KeyYBUDOEGVUAQVQH-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H27N5O4/c31-21(29-14-11-25(12-15-29)17-27-24(33)34-25)10-13-26-23(32)22-28-19-8-4-5-9-20(19)30(22)16-18-6-2-1-3-7-18/h1-9H,10-17H2,(H,26,32)(H,27,33)
PubChem CID44580045
ChEMBLCHEMBL485284
IUPHARN/A
BindingDB50264714
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
406223B1 bradykinin receptorQ3BCU0BDKRB1Macaca fascicularis (Crab-eating macaque)352

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