Reaction Details Report a problem with these data
Target
Antithrombin-III
Ligand
BDBM50378854
Substrate
n/a
Meas. Tech.
ChEMBL_675276 (CHEMBL1273258)
Kd
1±n/a nM
Citation
 Pinto, DJ; Smallheer, JM; Cheney, DL; Knabb, RM; Wexler, RR Factor Xa inhibitors: next-generation antithrombotic agents. J Med Chem 53:6243-74 (2010) [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:
BDBM50378854
Synonyms:
IDRAPARINUX SODIUM
Type:
Small organic molecule
Emp. Form.:
C38H55O49S7
Mol. Mass.:
1520.274
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](O[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:
Search PDB for entries with ligand similarity: