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

NameCHEMBL3913188
Molecular formulaC14H19FNO8P
IUPAC name(2S)-2-amino-4-[[4-(carboxymethoxy)-3-fluoro-5-methoxyphenyl]methyl-hydroxyphosphoryl]butanoic acid
Molecular weight379.277
Hydrogen bond acceptor10
Hydrogen bond donor4
XlogP-3.2
SynonymsSCHEMBL13975844
Inchi KeyHLWOFNYCURCWQU-JTQLQIEISA-N
Inchi IDInChI=1S/C14H19FNO8P/c1-23-11-5-8(4-9(15)13(11)24-6-12(17)18)7-25(21,22)3-2-10(16)14(19)20/h4-5,10H,2-3,6-7,16H2,1H3,(H,17,18)(H,19,20)(H,21,22)/t10-/m0/s1
PubChem CID71041871
ChEMBLCHEMBL3913188
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
538898Metabotropic glutamate receptor 4P31423Grm4Rattus norvegicus (Rat)912
538897Metabotropic glutamate receptor 7P35400Grm7Rattus norvegicus (Rat)915
538899Metabotropic glutamate receptor 8P70579Grm8Rattus norvegicus (Rat)908

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417