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 ●DMFold ●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

NameCHEMBL490827
Molecular formulaC30H27N5O2
IUPAC name1-benzyl-N-[2-[methyl-[(4-pyridin-2-ylphenyl)methyl]amino]-2-oxoethyl]benzimidazole-2-carboxamide
Molecular weight489.579
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50264630
N-(2-((4-(pyridin-2-yl)benzyl)(methyl)amino)-2-oxoethyl)-1-benzyl-1H-benzo[d]imidazole-2-carboxamide
Inchi KeyZYRLXRXALPXHFZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H27N5O2/c1-34(20-23-14-16-24(17-15-23)25-11-7-8-18-31-25)28(36)19-32-30(37)29-33-26-12-5-6-13-27(26)35(29)21-22-9-3-2-4-10-22/h2-18H,19-21H2,1H3,(H,32,37)
PubChem CID44579967
ChEMBLCHEMBL490827
IUPHARN/A
BindingDB50264630
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
440745B1 bradykinin receptorQ3BCU0BDKRB1Macaca fascicularis (Crab-eating macaque)352

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