Target
Antithrombin-III
Ligand
BDBM50421407
Substrate
n/a
Meas. Tech.
ChEBML_35871
Kd
2.8±n/a nM
Citation
 Helmboldt, APetitou, MMallet, JHerault, JLormeau, JDriguez, PAHerbert, JSinay, P Synthesis and biological activity of a new anti-factor Xa pentasaccharide with a C-interglycosidic bond Bioorg Med Chem Lett 7:1507-1510 (1997)    Article 
Target
Name:
Antithrombin-III
Synonyms:
ANT3_HUMAN | AT3 | ATIII | Antithrombin-III | Antithrombin-III precursor | Coagulation factor X/antithrombin III | SERPINC1
Type:
PROTEIN
Mol. Mass.:
52602.34
Organism:
Homo sapiens (Human)
Description:
ChEMBL_35871
Residue:
464
Sequence:
MYSNVIGTVTSGKRKVYLLSLLLIGFWDCVTCHGSPVDICTAKPRDIPMNPMCIYRSPEKKATEDEGSEQKIPEATNRRVWELSKANSRFATTFYQHLADSKNDNDNIFLSPLSISTAFAMTKLGACNDTLQQLMEVFKFDTISEKTSDQIHFFFAKLNCRLYRKANKSSKLVSANRLFGDKSLTFNETYQDISELVYGAKLQPLDFKENAEQSRAAINKWVSNKTEGRITDVIPSEAINELTVLVLVNTIYFKGLWKSKFSPENTRKELFYKADGESCSASMMYQEGKFRYRRVAEGTQVLELPFKGDDITMVLILPKPEKSLAKVEKELTPEVLQEWLDELEEMMLVVHMPRFRIEDGFSLKEQLQDMGLVDLFSPEKSKLPGIVAEGRDDLYVSDAFHKAFLEVNEEGSEAAASTAVVIAGRSLNPNRVTFKANRPFLVFIREVPLNTIIFMGRVANPCVK
  
Inhibitor
Name:
BDBM50421407
Synonyms:
CHEMBL2303814
Type:
Small organic molecule
Emp. Form.:
C39H66O48S7
Mol. Mass.:
1527.368
SMILES:
CO[C@H]1O[C@@H](COS(O)(=O)=O)[C@@H](O[C@@H]2O[C@H]([C@H](O[C@H]3O[C@@H](COS(O)(=O)=O)[C@@H](O[C@@H]4O[C@H]([C@@H](C[C@H]5O[C@@H](COS(O)(=O)=O)[C@@H](OC)[C@H](OC)[C@@H]5OC)[C@H](OC)[C@@H]4OC)C(O)=O)[C@H](OS(O)(=O)=O)[C@@H]3OS(O)(=O)=O)[C@H](OC)[C@H]2OC)C(O)=O)[C@H](OS(O)(=O)=O)[C@@H]1OS(O)(=O)=O |r|
Structure:
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