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

NameSCHEMBL931519
Molecular formulaC27H29N5O2
IUPAC nameN-methyl-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide
Molecular weight455.562
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.4
SynonymsBDBM136339
US8859534, 25
CHEMBL3647283
Inchi KeyJUHQRDJLVVSGKB-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H29N5O2/c1-30(20-23-9-3-5-13-29-23)27(33)25-19-21-7-6-10-24(26(21)34-25)32-17-15-31(16-18-32)14-11-22-8-2-4-12-28-22/h2-10,12-13,19H,11,14-18,20H2,1H3
PubChem CID59636742
ChEMBLCHEMBL3647283
IUPHARN/A
BindingDB136339
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
1601425-hydroxytryptamine receptor 1BP46636HTR1BCricetulus griseus (Chinese hamster)386

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