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

NameCHEMBL144201
Molecular formulaC8H9F2NO4
IUPAC name(1S,2S,5R,6S)-2-amino-3,3-difluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
Molecular weight221.16
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP-2.9
SynonymsBDBM50094847
(+/-)-2-Amino-3,3-difluoro-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
Inchi KeyBYEDBNFXHDLGBU-NHDVCMSYSA-N
Inchi IDInChI=1S/C8H9F2NO4/c9-7(10)1-2-3(5(12)13)4(2)8(7,11)6(14)15/h2-4H,1,11H2,(H,12,13)(H,14,15)/t2-,3-,4-,8-/m0/s1
PubChem CID10176836
ChEMBLCHEMBL144201
IUPHARN/A
BindingDB50094847
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
35711Metabotropic glutamate receptor 2P31421Grm2Rattus norvegicus (Rat)872
558363Metabotropic glutamate receptor 2Q14416GRM2Homo sapiens (Human)872

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