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Target
Antithrombin-III/Prothrombin
Ligand
BDBM264598
Substrate
n/a
Meas. Tech.
Fluorometric ATIII/alphaIIa IC50 Plate Assay at pH 7.8
Temperature
298.1500±n/a K
IC50
2326000±n/a nM
Comments
extracted
Citation
 Lawrence, DA; Emal, C; Reinke, A; Li, S; Warnock, M; Abernathy, G Plasminogen activator inhibitor-1 inhibitors and methods of use thereof US Patent  US9718760 Publication Date 8/1/2017 
Target
Name:
Antithrombin-III/Prothrombin
Synonyms:
ATIII/alphaIIa
Type:
Enzyme
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Antithrombin-III
Synonyms:
ATIII | Antithrombin-III | Antithrombin-III precursor | ANT3_HUMAN | SERPINC1 | AT3 | Coagulation factor X/antithrombin III
Type:
PROTEIN
Mol. Mass.:
52602.34
Organism:
Human
Description:
ChEMBL_35871
Residue:
464
Sequence:
MYSNVIGTVTSGKRKVYLLSLLLIGFWDCVTCHGSPVDICTAKPRDIPMNPMCIYRSPEKKATEDEGSEQKIPEATNRRVWELSKANSRFATTFYQHLADSKNDNDNIFLSPLSISTAFAMTKLGACNDTLQQLMEVFKFDTISEKTSDQIHFFFAKLNCRLYRKANKSSKLVSANRLFGDKSLTFNETYQDISELVYGAKLQPLDFKENAEQSRAAINKWVSNKTEGRITDVIPSEAINELTVLVLVNTIYFKGLWKSKFSPENTRKELFYKADGESCSASMMYQEGKFRYRRVAEGTQVLELPFKGDDITMVLILPKPEKSLAKVEKELTPEVLQEWLDELEEMMLVVHMPRFRIEDGFSLKEQLQDMGLVDLFSPEKSKLPGIVAEGRDDLYVSDAFHKAFLEVNEEGSEAAASTAVVIAGRSLNPNRVTFKANRPFLVFIREVPLNTIIFMGRVANPCVK
  
Component 2
Name:
Prothrombin
Synonyms:
THRB_HUMAN | F2 | Activation peptide fragment 1 | Activation peptide fragment 2 | Coagulation factor II | Prothrombin precursor | Thrombin heavy chain | Thrombin light chain
Type:
Protein
Mol. Mass.:
70029.57
Organism:
Human
Description:
P00734
Residue:
622
Sequence:
MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLERECVEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHVNITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQECSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASAQAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETGDGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE
  
Inhibitor
Name:
BDBM264598
Synonyms:
US9718760, C155
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
CCCCCCCCN(S(=O)(=O)c1cc(F)c(O)c(F)c1)S(=O)(=O)c1cc(F)c(O)c(F)c1
Structure:
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