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

NameCHEMBL539761
Molecular formulaC14H16N2O6
IUPAC name(2R,4R)-4-amino-1-[(4-carboxyphenyl)methyl]pyrrolidine-2,4-dicarboxylic acid
Molecular weight308.29
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP-5.0
SynonymsCHEMBL1189911
(2R)-1-(4-Carboxybenzyl)-4-aminopyrrolidine-2beta,4alpha-dicarboxylic acid
BDBM50102124
(2R,4R)-4-amino-1-(4-carboxybenzyl)pyrrolidine-2,4-dicarboxylic acid dihydrochloride
Inchi KeyJYBOVHJPKPIRCY-QMTHXVAHSA-N
Inchi IDInChI=1S/C14H16N2O6/c15-14(13(21)22)5-10(12(19)20)16(7-14)6-8-1-3-9(4-2-8)11(17)18/h1-4,10H,5-7,15H2,(H,17,18)(H,19,20)(H,21,22)/t10-,14-/m1/s1
PubChem CID44300587
ChEMBLN/A
IUPHARN/A
BindingDB50102124
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
460675Metabotropic glutamate receptor 2P31421Grm2Rattus norvegicus (Rat)872
562416Metabotropic glutamate receptor 6P35349Grm6Rattus norvegicus (Rat)871

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