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

NameCHEMBL185135
Molecular formulaC9H12FNO5
IUPAC name(1R,2R,3S,5R,6R)-2-amino-6-fluoro-3-methoxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid
Molecular weight233.195
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP-3.4
Synonyms(1R,2R,3S,5R,6R)-2-Amino-6-fluoro-3-methoxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
BDBM50151454
Inchi KeyDLCJNGFLKRARDD-QRDUTXOSSA-N
Inchi IDInChI=1S/C9H12FNO5/c1-16-4-2-3-5(8(3,10)6(12)13)9(4,11)7(14)15/h3-5H,2,11H2,1H3,(H,12,13)(H,14,15)/t3-,4+,5+,8-,9+/m1/s1
PubChem CID11172339
ChEMBLCHEMBL185135
IUPHARN/A
BindingDB50151454
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
62814Metabotropic glutamate receptor 2P31421Grm2Rattus norvegicus (Rat)872
559211Metabotropic glutamate receptor 2Q14416GRM2Homo sapiens (Human)872

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