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

NameAC1M12OY
Molecular formulaC18H14FN5OS2
IUPAC name2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
Molecular weight399.462
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP2.8
SynonymsMLS000389109
CHEMBL1419884
MolPort-004-240-332
HMS2544G07
ZINC2625563
[ Show all ]
Inchi KeyAFZCDNCYOPGSGX-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H14FN5OS2/c1-11-6-7-15-20-12(8-16(25)24(15)9-11)10-26-18-23-22-17(27-18)21-14-5-3-2-4-13(14)19/h2-9H,10H2,1H3,(H,21,22)
PubChem CID2087766
ChEMBLCHEMBL1419884
IUPHARN/A
BindingDBN/A
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
4646Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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