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

NameSCHEMBL6929110
Molecular formulaC14H10FN5O2S
IUPAC nameN-[4-(fluoromethyl)-1,3-thiazol-2-yl]-4-pyrimidin-5-yloxypyridine-2-carboxamide
Molecular weight331.325
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP1.4
SynonymsCHEMBL3660263
BDBM107270
US8598345, Table 1-56
Inchi KeyAHESFMTZWHPOII-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H10FN5O2S/c15-4-9-7-23-14(19-9)20-13(21)12-3-10(1-2-18-12)22-11-5-16-8-17-6-11/h1-3,5-8H,4H2,(H,19,20,21)
PubChem CID51038608
ChEMBLCHEMBL3660263
IUPHARN/A
BindingDB107270
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
459268Metabotropic glutamate receptor 5P31424Grm5Rattus norvegicus (Rat)1203

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