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 18
Molecular formulaC15H20NO11P
IUPAC name(2R)-2-amino-4-[[[3,4-bis(carboxymethoxy)phenyl]-hydroxymethyl]-hydroxyphosphoryl]butanoic acid
Molecular weight421.295
Hydrogen bond acceptor12
Hydrogen bond donor6
XlogP-4.3
SynonymsBDBM196922
Inchi KeyLIXSYEXTLWDJIL-WXMRUQJCSA-N
Inchi IDInChI=1S/C15H20NO11P/c16-9(14(21)22)3-4-28(24,25)15(23)8-1-2-10(26-6-12(17)18)11(5-8)27-7-13(19)20/h1-2,5,9,15,23H,3-4,6-7,16H2,(H,17,18)(H,19,20)(H,21,22)(H,24,25)/t9-,15?/m1/s1
PubChem CID122197948
ChEMBLN/A
IUPHARN/A
BindingDB196922
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
563229Metabotropic glutamate receptor 4P31423Grm4Rattus norvegicus (Rat)912
563228Metabotropic glutamate receptor 8P70579Grm8Rattus norvegicus (Rat)908

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