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

NameCHEMBL277167
Molecular formulaC23H28N2O7S
IUPAC name(Z)-6-[(2S,4S,5R)-2-[2-(4-methyl-2-nitrophenoxy)propan-2-yl]-4-(1,3-thiazol-5-yl)-1,3-dioxan-5-yl]hex-4-enoic acid
Molecular weight476.544
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM50280074
(Z)-6-{(2S,4S,5R)-2-[1-Methyl-1-(4-methyl-2-nitro-phenoxy)-ethyl]-4-thiazol-5-yl-[1,3]dioxan-5-yl}-hex-4-enoic acid
Inchi KeyAEMOPCLSCUUOFI-IVWCHCLBSA-N
Inchi IDInChI=1S/C23H28N2O7S/c1-15-9-10-18(17(11-15)25(28)29)32-23(2,3)22-30-13-16(7-5-4-6-8-20(26)27)21(31-22)19-12-24-14-33-19/h4-5,9-12,14,16,21-22H,6-8,13H2,1-3H3,(H,26,27)/b5-4-/t16-,21+,22+/m1/s1
PubChem CID9869582
ChEMBLCHEMBL277167
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3642Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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