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

NameCHEMBL124501
Molecular formulaC15H19NO4
IUPAC name(1S,2S)-2-[(1R)-1-amino-1-carboxy-3-(3-methylphenyl)propyl]cyclopropane-1-carboxylic acid
Molecular weight277.32
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP-0.9
Synonyms(1S,2S)-2-((R)-1-Amino-1-carboxy-3-m-tolyl-propyl)-cyclopropanecarboxylic acid
BDBM50062520
SCHEMBL8491369
(alphaR,1S,2S)-alpha-Amino-alpha-(3-methylphenethyl)-2beta-carboxycyclopropane-1alpha-acetic acid
Inchi KeyKBDQFKQTJBFOTK-SLEUVZQESA-N
Inchi IDInChI=1S/C15H19NO4/c1-9-3-2-4-10(7-9)5-6-15(16,14(19)20)12-8-11(12)13(17)18/h2-4,7,11-12H,5-6,8,16H2,1H3,(H,17,18)(H,19,20)/t11-,12-,15+/m0/s1
PubChem CID10492773
ChEMBLCHEMBL124501
IUPHARN/A
BindingDB50062520
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
164945Metabotropic glutamate receptor 2Q14416GRM2Homo sapiens (Human)872
164944Metabotropic glutamate receptor 3Q14832GRM3Homo sapiens (Human)879

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