Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameUS9212196, Derivative 9
Molecular formulaC13H16Cl2NO8P
IUPAC name(2R)-2-amino-4-[[[4-(carboxymethoxy)-3,5-dichlorophenyl]-hydroxymethyl]-hydroxyphosphoryl]butanoic acid
Molecular weight416.144
Hydrogen bond acceptor9
Hydrogen bond donor5
XlogP-2.6
SynonymsBDBM196913
Inchi KeyACWNTECWAQAJID-CGCSKFHYSA-N
Inchi IDInChI=1S/C13H16Cl2NO8P/c14-7-3-6(4-8(15)11(7)24-5-10(17)18)13(21)25(22,23)2-1-9(16)12(19)20/h3-4,9,13,21H,1-2,5,16H2,(H,17,18)(H,19,20)(H,22,23)/t9-,13?/m1/s1
PubChem CID122197941
ChEMBLN/A
IUPHARN/A
BindingDB196913
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
557353Metabotropic glutamate receptor 4P31423Grm4Rattus norvegicus (Rat)912
557354Metabotropic glutamate receptor 7P35400Grm7Rattus norvegicus (Rat)915
557352Metabotropic glutamate receptor 8P70579Grm8Rattus norvegicus (Rat)908

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