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

NameCHEMBL522388
Molecular formulaC23H20N4O3
IUPAC name3-oxo-N-(5-phenylpyrimidin-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
Molecular weight400.438
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.8
Synonyms3-oxo-N-(5-phenylpyrimidin-2-yl)-3H-spiro[isobenzofuran-1,4''-piperidine]-1''-carboxamide
BDBM50268532
SCHEMBL5430956
Inchi KeyUQZIBYPLWBTFTR-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H20N4O3/c28-20-18-8-4-5-9-19(18)23(30-20)10-12-27(13-11-23)22(29)26-21-24-14-17(15-25-21)16-6-2-1-3-7-16/h1-9,14-15H,10-13H2,(H,24,25,26,29)
PubChem CID9908945
ChEMBLCHEMBL522388
IUPHARN/A
BindingDB50268532
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
343346Neuropeptide Y receptor type 5Q15761NPY5RHomo sapiens (Human)445
343347Neuropeptide Y receptor type 5Q63634Npy5rRattus norvegicus (Rat)445

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