Reaction Details Report a problem with these data
Target
Antithrombin-III/Coagulation factor X
Ligand
BDBM50393527
Substrate
n/a
Meas. Tech.
ChEMBL_856794 (CHEMBL2162912)
IC50
190000±n/a nM
Citation
 Correia-da-Silva, M; Sousa, E; Duarte, B; Marques, F; Carvalho, F; Cunha-Ribeiro, LM; Pinto, MM Polysulfated xanthones: multipathway development of a new generation of dual anticoagulant/antiplatelet agents. J Med Chem 54:5373-84 (2011) [PubMed]  Article 
Target
Name:
Antithrombin-III/Coagulation factor X
Synonyms:
Coagulation factor X/antithrombin III
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of EBI is 856794
Components:
This complex has 2 components.
Component 1
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
  
Component 2
Name:
Coagulation factor X
Synonyms:
Activated coagulation factor X (FXa) | Activated factor Xa heavy chain | Coagulation factor X precursor | Coagulation factor Xa | F10 | FA10_HUMAN | Factor X heavy chain | Factor X light chain | Factor Xa | Stuart factor | Stuart-Prower factor
Type:
Enzyme
Mol. Mass.:
54726.60
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
488
Sequence:
MGRPLHLVLLSASLAGLLLLGESLFIRREQANNILARVTRANSFLEEMKKGHLERECMEETCSYEEAREVFEDSDKTNEFWNKYKDGDQCETSPCQNQGKCKDGLGEYTCTCLEGFEGKNCELFTRKLCSLDNGDCDQFCHEEQNSVVCSCARGYTLADNGKACIPTGPYPCGKQTLERRKRSVAQATSSSGEAPDSITWKPYDAADLDPTENPFDLLDFNQTQPERGDNNLTRIVGGQECKDGECPWQALLINEENEGFCGGTILSEFYILTAAHCLYQAKRFKVRVGDRNTEQEEGGEAVHEVEVVIKHNRFTKETYDFDIAVLRLKTPITFRMNVAPACLPERDWAESTLMTQKTGIVSGFGRTHEKGRQSTRLKMLEVPYVDRNSCKLSSSFIITQNMFCAGYDTKQEDACQGDSGGPHVTRFKDTYFVTGIVSWGEGCARKGKYGIYTKVTAFLKWIDRSMKTRGLPKAKSHAPEVITSSPLK
  
Inhibitor
Name:
BDBM50393527
Synonyms:
CHEMBL2158198
Type:
Small organic molecule
Emp. Form.:
C25H28O38S8
Mol. Mass.:
1192.987
SMILES:
OS(=O)(=O)OC[C@H]1O[C@@H](Oc2ccc3c(c2)oc2cc(O[C@@H]4O[C@H](COS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]4OS(O)(=O)=O)ccc2c3=O)[C@H](OS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@@H]1OS(O)(=O)=O |r|
Structure:
Search PDB for entries with ligand similarity: