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

NameSCHEMBL932470
Molecular formulaC26H28N6O2
IUPAC nameN-[(2-methylpyrimidin-5-yl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
Molecular weight456.55
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.0
SynonymsUS8859534, 34
CHEMBL3650027
BDBM136348
Inchi KeyMZZSMGOVCAPEFV-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H28N6O2/c1-19-28-16-20(17-29-19)18-30-26(33)24-15-21-5-4-7-23(25(21)34-24)32-13-11-31(12-14-32)10-8-22-6-2-3-9-27-22/h2-7,9,15-17H,8,10-14,18H2,1H3,(H,30,33)
PubChem CID59636732
ChEMBLCHEMBL3650027
IUPHARN/A
BindingDB136348
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
2182735-hydroxytryptamine receptor 1BP46636HTR1BCricetulus griseus (Chinese hamster)386

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