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Target
Coagulation factor XIII A chain [Q652E]
Ligand
BDBM50608716
Substrate
n/a
Meas. Tech.
ChEMBL_2274779
IC50
76300±n/a nM
Citation
 Al-Horani, RA; Kar, S Factor XIIIa inhibitors as potential novel drugs for venous thromboembolism. Eur J Med Chem 200:0 (2020) [PubMed]
Target
Name:
Coagulation factor XIII A chain [Q652E]
Synonyms:
Coagulation factor XIII A (FXIIIa) | F13A | F13A1 | F13A_HUMAN
Type:
Protein
Mol. Mass.:
83261.26
Organism:
Homo sapiens (Human)
Description:
P00488[Q652E]
Residue:
732
Sequence:
MSETSRTAFGGRRAVPPNNSNAAEDDLPTVELQGVVPRGVNLQEFLNVTSVHLFKERWDTNKVDHHTDKYENNKLIVRRGQSFYVQIDFSRPYDPRRDLFRVEYVIGRYPQENKGTYIPVPIVSELQSGKWGAKIVMREDRSVRLSIQSSPKCIVGKFRMYVAVWTPYGVLRTSRNPETDTYILFNPWCEDDAVYLDNEKEREEYVLNDIGVIFYGEVNDIKTRSWSYGQFEDGILDTCLYVMDRAQMDLSGRGNPIKVSRVGSAMVNAKDDEGVLVGSWDNIYAYGVPPSAWTGSVDILLEYRSSENPVRYGQCWVFAGVFNTFLRCLGIPARIVTNYFSAHDNDANLQMDIFLEEDGNVNSKLTKDSVWNYHCWNEAWMTRPDLPVGFGGWQAVDSTPQENSDGMYRCGPASVQAIKHGHVCFQFDAPFVFAEVNSDLIYITAKKDGTHVVENVDATHIGKLIVTKQIGGDGMMDITDTYKFQEGQEEERLALETALMYGAKKPLNTEGVMKSRSNVDMDFEVENAVLGKDFKLSITFRNNSHNRYTITAYLSANITFYTGVPKAEFKKETFDVTLEPLSFKKEAVLIQAGEYMGQLLEQASLHFFVTARINETRDVLAKQKSTVLTIPEIIIKVRGTQVVGSDMTVTVEFTNPLKETLRNVWVHLDGPGVTRPMKKMFREIRPNSTVQWEEVCRPWVSGHRKLIASMSSDSLRHVYGELDVQIQRRPSM
  
Inhibitor
Name:
BDBM50608716
Synonyms:
CHEMBL5269322
Type:
Small organic molecule
Emp. Form.:
C49H26Na11O54S11
Mol. Mass.:
2084.3
SMILES:
[Na;v1].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#8]S(=O)(=O)[#8]-c1cc(-[#8]-[#6]-[#6]-[#8]-c2cc(ccc2-[#8]S([#8-])(=O)=O)-c2oc3cc(-[#8]S([#8-])(=O)=O)cc(-[#8]-[#6]-[#6]-[#8]-c4cc(-[#8]S([#8-])(=O)=O)cc5oc(-c6ccc(-[#8]S([#8-])(=O)=O)c(-[#8]S([#8-])(=O)=O)c6)c(-[#8]S([#8-])(=O)=O)c(=O)c45)c3c(=O)c2-[#8]S([#8-])(=O)=O)c2c(c1)oc(-c1ccc(-[#8]S([#8])(=O)=O)c(-[#8]S([#8-])(=O)=O)c1)c(-[#8]S([#8-])(=O)=O)c2=O
Structure:
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