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

NameCHEMBL2112634
Molecular formulaC15H17NO6
IUPAC name3-[3-amino-3-carboxy-3-[(1S,2S)-2-carboxycyclopropyl]propyl]benzoic acid
Molecular weight307.302
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP-1.8
SynonymsBDBM50408697
Inchi KeyBXXBSWCSRUMEJU-AKABHXMESA-N
Inchi IDInChI=1S/C15H17NO6/c16-15(14(21)22,11-7-10(11)13(19)20)5-4-8-2-1-3-9(6-8)12(17)18/h1-3,6,10-11H,4-5,7,16H2,(H,17,18)(H,19,20)(H,21,22)/t10-,11-,15?/m0/s1
PubChem CID10828532
ChEMBLCHEMBL2112634
IUPHARN/A
BindingDB50408697
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
35543Metabotropic glutamate receptor 2Q14416GRM2Homo sapiens (Human)872
35542Metabotropic glutamate receptor 3Q14832GRM3Homo sapiens (Human)879

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