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

NameCHEMBL1093612
Molecular formulaC9H18NO7P
IUPAC name2-[[[(3S)-3-amino-3-carboxypropyl]-hydroxyphosphoryl]methyl]-4-hydroxybutanoic acid
Molecular weight283.217
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP-5.1
SynonymsBDBM50314800
(3S)-3-[((3-Amino-3-carboxylate)propyl)(hydroxy)phosphinate]-2-(2-hydroxyethyl)propanoate
Inchi KeyIPELLEGLRZLYPW-MLWJPKLSSA-N
Inchi IDInChI=1S/C9H18NO7P/c10-7(9(14)15)2-4-18(16,17)5-6(1-3-11)8(12)13/h6-7,11H,1-5,10H2,(H,12,13)(H,14,15)(H,16,17)/t6?,7-/m0/s1
PubChem CID46197878
ChEMBLCHEMBL1093612
IUPHARN/A
BindingDB50314800
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
138529Metabotropic glutamate receptor 4P31423Grm4Rattus norvegicus (Rat)912
138528Metabotropic glutamate receptor 8P70579Grm8Rattus norvegicus (Rat)908

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