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

NameCHEMBL131922
Molecular formulaC6H9N3O3S
IUPAC name(2S)-2-amino-4-(4-oxo-1,2,5-thiadiazol-3-yl)butanoic acid
Molecular weight203.216
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP-3.4
SynonymsBDBM50118480
2-Amino-4-(4-hydroxy-[1,2,5]thiadiazol-3-yl)-butyric acid
Inchi KeyAJASJCCJLLTPOF-VKHMYHEASA-N
Inchi IDInChI=1S/C6H9N3O3S/c7-3(6(11)12)1-2-4-5(10)9-13-8-4/h3H,1-2,7H2,(H,9,10)(H,11,12)/t3-/m0/s1
PubChem CID10465478
ChEMBLCHEMBL131922
IUPHARN/A
BindingDB50118480
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6715Metabotropic glutamate receptor 1P23385Grm1Rattus norvegicus (Rat)1199
441962Metabotropic glutamate receptor 1Q13255GRM1Homo sapiens (Human)1194
6716Metabotropic glutamate receptor 2P31421Grm2Rattus norvegicus (Rat)872
441960Metabotropic glutamate receptor 2Q14416GRM2Homo sapiens (Human)872
6717Metabotropic glutamate receptor 4P31423Grm4Rattus norvegicus (Rat)912
441963Metabotropic glutamate receptor 4Q14833GRM4Homo sapiens (Human)912
6718Metabotropic glutamate receptor 5P31424Grm5Rattus norvegicus (Rat)1203
441961Metabotropic glutamate receptor 5P41594GRM5Homo sapiens (Human)1212

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