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

NameCHEMBL123842
Molecular formulaC14H18N2O4
IUPAC name(1S)-2-[(1R)-1-amino-3-(3-aminophenyl)-1-carboxypropyl]cyclopropane-1-carboxylic acid
Molecular weight278.308
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP-2.0
Synonyms(S)-2-[(R)-1-Amino-3-(3-amino-phenyl)-1-carboxy-propyl]-cyclopropanecarboxylic acid
BDBM50062539
Inchi KeyKPPSLUOLIRJBMU-PFSRQVJMSA-N
Inchi IDInChI=1S/C14H18N2O4/c15-9-3-1-2-8(6-9)4-5-14(16,13(19)20)11-7-10(11)12(17)18/h1-3,6,10-11H,4-5,7,15-16H2,(H,17,18)(H,19,20)/t10-,11?,14+/m0/s1
PubChem CID44348859
ChEMBLCHEMBL123842
IUPHARN/A
BindingDB50062539
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
175024Metabotropic glutamate receptor 2Q14416GRM2Homo sapiens (Human)872
175023Metabotropic glutamate receptor 3Q14832GRM3Homo sapiens (Human)879

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