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

NameSMR000066873
Molecular formulaC16H20N4O6
IUPAC name[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
Molecular weight364.358
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP1.1
SynonymsAKOS033943382
MLS000054929
2-(6-amino-3-methyl-2,4-dioxo-1-propyl-1,2,3,4-tetrahydropyrimidin-5-yl)-2-oxoethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
750603-06-6
HMS2279K19
[ Show all ]
Inchi KeyAAHZIIKQJCMENQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H20N4O6/c1-5-6-20-13(17)12(14(22)19(4)16(20)24)10(21)7-25-15(23)11-8(2)18-26-9(11)3/h5-7,17H2,1-4H3
PubChem CID2115012
ChEMBLCHEMBL1545973
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
221Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757

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