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

NameUS9212196, Derivative 4
Molecular formulaC15H22NO10P
IUPAC name(2R)-2-amino-4-[[[4-(carboxymethoxy)-3,5-dimethoxyphenyl]-hydroxymethyl]-hydroxyphosphoryl]butanoic acid
Molecular weight407.312
Hydrogen bond acceptor11
Hydrogen bond donor5
XlogP-3.9
SynonymsBDBM196908
Inchi KeyJDWNQHDRUKKAKP-WXMRUQJCSA-N
Inchi IDInChI=1S/C15H22NO10P/c1-24-10-5-8(6-11(25-2)13(10)26-7-12(17)18)15(21)27(22,23)4-3-9(16)14(19)20/h5-6,9,15,21H,3-4,7,16H2,1-2H3,(H,17,18)(H,19,20)(H,22,23)/t9-,15?/m1/s1
PubChem CID122197936
ChEMBLN/A
IUPHARN/A
BindingDB196908
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
561928Metabotropic glutamate receptor 4P31423Grm4Rattus norvegicus (Rat)912
561929Metabotropic glutamate receptor 6P35349Grm6Rattus norvegicus (Rat)871
561931Metabotropic glutamate receptor 7P35400Grm7Rattus norvegicus (Rat)915
561930Metabotropic glutamate receptor 8P70579Grm8Rattus norvegicus (Rat)908

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