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

NameCHEMBL1784130
Molecular formulaC21H16F4N4O
IUPAC name1-(difluoromethyl)-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoropyridin-3-yl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one
Molecular weight416.38
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.9
Synonyms1-(difluoromethyl)-5-[(4s,5s)-4-(4-fluorophenyl)-4-(6-fluoropyridin-3-yl)-5-methyl-4,5-dihydro-1h-imidazol-2-yl]pyridin-2(1h)-one
5-[(4S,5S)-4-(4-Fluorophenyl)-4-(2-fluoro-5-pyridyl)-4,5-dihydro-5-methyl-1H-imidazole-2-yl]-1-(difluoromethyl)-2(1H)-pyridinone
BDBM50346228
SCHEMBL3154436
Inchi KeyMUTOQFPGGSSVLM-QKVFXAPYSA-N
Inchi IDInChI=1S/C21H16F4N4O/c1-12-21(14-3-6-16(22)7-4-14,15-5-8-17(23)26-10-15)28-19(27-12)13-2-9-18(30)29(11-13)20(24)25/h2-12,20H,1H3,(H,27,28)/t12-,21-/m0/s1
PubChem CID10047509
ChEMBLCHEMBL1784130
IUPHARN/A
BindingDB50346228
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
214653Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
214654Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381
214651Neuropeptide Y receptor type 4P50391NPY4RHomo sapiens (Human)375
214652Neuropeptide Y receptor type 5Q15761NPY5RHomo sapiens (Human)445

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