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

NameMLS000045863
Molecular formulaC19H16FN3O2
IUPAC name6-(2,3-dihydroindol-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
Molecular weight337.354
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.7
SynonymsAB00411927-03
HMS2486D23
MLS000102316
cid_3237685
AC1MMEXE
[ Show all ]
Inchi KeyAGBZJWQTKDBXCI-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H16FN3O2/c20-15-7-5-13(6-8-15)12-23-18(24)11-17(21-19(23)25)22-10-9-14-3-1-2-4-16(14)22/h1-8,11H,9-10,12H2,(H,21,25)
PubChem CID3237685
ChEMBLCHEMBL1518089
IUPHARN/A
BindingDB37700
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
4740fMet-Leu-Phe receptorP21462FPR1Homo sapiens (Human)350
4739N-formyl peptide receptor 2P25090FPR2Homo sapiens (Human)351

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