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 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

NameAC1MCL2N
Molecular formulaC20H19FN4O2
IUPAC name2-[4-(2-fluorophenyl)piperazin-1-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
Molecular weight366.396
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP1.7
Synonyms2-[4-(2-fluorophenyl)piperazinyl]-7-methyl-4-oxo-5-hydropyridino[1,2-a]pyrimid ine-3-carbaldehyde
MolPort-000-481-615
ZINC4856912
2-[4-(2-fluorophenyl)-1-piperazinyl]-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
MCULE-6950387233
[ Show all ]
Inchi KeyAGCRGQIAFWJRJD-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H19FN4O2/c1-14-6-7-18-22-19(15(13-26)20(27)25(18)12-14)24-10-8-23(9-11-24)17-5-3-2-4-16(17)21/h2-7,12-13H,8-11H2,1H3
PubChem CID2772191
ChEMBLCHEMBL1582940
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
4771Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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