Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL82374
Molecular formulaC22H28FN3O2S
IUPAC name1-[4-[[(9-fluoro-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)amino]methyl]piperidin-1-yl]pentan-1-one
Molecular weight417.543
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.7
SynonymsSCHEMBL7993308
BDBM50145236
1-{4-[(9-Fluoro-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-2-ylamino)-methyl]-piperidin-1-yl}-pentan-1-one
Inchi KeyKOGZUICFSKKHFC-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H28FN3O2S/c1-2-3-4-20(27)26-10-7-15(8-11-26)14-24-22-25-21-17-13-16(23)5-6-18(17)28-12-9-19(21)29-22/h5-6,13,15H,2-4,7-12,14H2,1H3,(H,24,25)
PubChem CID10295464
ChEMBLCHEMBL82374
IUPHARN/A
BindingDB50145236
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
174042Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
174041Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381
174044Neuropeptide Y receptor type 4P50391NPY4RHomo sapiens (Human)375
174040Neuropeptide Y receptor type 5Q15761NPY5RHomo sapiens (Human)445
174043Neuropeptide Y receptor type 5Q63634Npy5rRattus norvegicus (Rat)445

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