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

NameUS9212196, Derivative 26
Molecular formulaC13H18NO7PS
IUPAC name(2R)-2-amino-4-[[[4-(carboxymethylsulfanyl)phenyl]-hydroxymethyl]-hydroxyphosphoryl]butanoic acid
Molecular weight363.321
Hydrogen bond acceptor9
Hydrogen bond donor5
XlogP-3.3
SynonymsBDBM196930
Inchi KeyIMWRUEZSFIGPIN-VUUHIHSGSA-N
Inchi IDInChI=1S/C13H18NO7PS/c14-10(12(17)18)5-6-22(20,21)13(19)8-1-3-9(4-2-8)23-7-11(15)16/h1-4,10,13,19H,5-7,14H2,(H,15,16)(H,17,18)(H,20,21)/t10-,13?/m1/s1
PubChem CID122197956
ChEMBLN/A
IUPHARN/A
BindingDB196930
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
561552Metabotropic glutamate receptor 4P31423Grm4Rattus norvegicus (Rat)912
561554Metabotropic glutamate receptor 7P35400Grm7Rattus norvegicus (Rat)915
561553Metabotropic glutamate receptor 8P70579Grm8Rattus norvegicus (Rat)908

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