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

NameCHEMBL538487
Molecular formulaC13H16N2O5
IUPAC name(2R,4R)-4-amino-1-[(3-hydroxyphenyl)methyl]pyrrolidine-2,4-dicarboxylic acid
Molecular weight280.28
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP-4.9
SynonymsCHEMBL1189301
(2R)-1-(3-Hydroxybenzyl)-4-aminopyrrolidine-2beta,4alpha-dicarboxylic acid
BDBM50102119
(2R,4R)-4-amino-1-(3-hydroxybenzyl)pyrrolidine-2,4-dicarboxylic acid dihydrochloride
Inchi KeyCESVIUUKFCMVHO-ZWNOBZJWSA-N
Inchi IDInChI=1S/C13H16N2O5/c14-13(12(19)20)5-10(11(17)18)15(7-13)6-8-2-1-3-9(16)4-8/h1-4,10,16H,5-7,14H2,(H,17,18)(H,19,20)/t10-,13-/m1/s1
PubChem CID44300751
ChEMBLN/A
IUPHARN/A
BindingDB50102119
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
459574Metabotropic glutamate receptor 2P31421Grm2Rattus norvegicus (Rat)872

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