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

NameSCHEMBL930901
Molecular formulaC23H28N4O3
IUPAC name7-[4-[2-(4-methoxypyridin-2-yl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide
Molecular weight408.502
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP2.9
SynonymsBDBM136353
US8859534, 39
CHEMBL3650032
Inchi KeyCAXWOPIXKUGWBU-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H28N4O3/c1-25(2)23(28)21-15-17-5-4-6-20(22(17)30-21)27-13-11-26(12-14-27)10-8-18-16-19(29-3)7-9-24-18/h4-7,9,15-16H,8,10-14H2,1-3H3
PubChem CID59636738
ChEMBLCHEMBL3650032
IUPHARN/A
BindingDB136353
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
376185-hydroxytryptamine receptor 1BP46636HTR1BCricetulus griseus (Chinese hamster)386

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