Reaction Details Report a problem with these data
Target
Antithrombin-III
Ligand
BDBM50310313
Substrate
n/a
Meas. Tech.
ChEMBL_607976 (CHEMBL1072392)
IC50
>300000±n/a nM
Citation
 El-Ayache, NC; Li, SH; Warnock, M; Lawrence, DA; Emal, CD Novel bis-arylsulfonamides and aryl sulfonimides as inactivators of plasminogen activator inhibitor-1 (PAI-1). Bioorg Med Chem Lett 20:966-70 (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:
BDBM50310313
Synonyms:
CHEMBL596860 | N,N'-(ethane-1,2-diyl)bis(N-ethyl-2,5-dihydroxybenzenesulfonamide)
Type:
Small organic molecule
Emp. Form.:
C18H24N2O8S2
Mol. Mass.:
460.522
SMILES:
CCN(CCN(CC)S(=O)(=O)c1cc(O)ccc1O)S(=O)(=O)c1cc(O)ccc1O
Structure:
Search PDB for entries with ligand similarity: