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Target
Antithrombin-III
Ligand
BDBM50369254
Substrate
n/a
Meas. Tech.
ChEMBL_35868 (CHEMBL652036)
Kd
58±n/a nM
Citation
 Petitou, M; Duchaussoy, P; Jaurand, G; Gourvenec, F; Lederman, I; Strassel, JM; Bârzu, T; Crépon, B; Hérault, JP; Lormeau, JC; Bernat, A; Herbert, JM Synthesis and pharmacological properties of a close analogue of an antithrombotic pentasaccharide (SR 90107A/ORG 31540). J Med Chem 40:1600-7 (1997) [PubMed]  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:
BDBM50369254
Synonyms:
CHEMBL609990
Type:
Small organic molecule
Emp. Form.:
C30H41N3Na8O49S8
Mol. Mass.:
1668.076
SMILES:
OC1OC(COS(=O)(=O)O[Na])C(OC2OC(C(OC3OC(COS(=O)(=O)O[Na])C(OC4OC(C(OC5OC(COS(=O)(=O)O[Na])C(O)C(O)C5NS(=O)(=O)O[Na])C(O)C4O)C([O-])=O)C(OS(=O)(=O)O[Na])C3OS(=O)(=O)O[Na])C(O)C2NS(=O)(=O)O[Na])C([O-])=O)C(O)C1NS(=O)(=O)O[Na]
Structure:
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