Reaction Details Report a problem with these data
Target
Coagulation factor XIII A chain
Ligand
BDBM577497
Substrate
n/a
Meas. Tech.
Isopeptidase Assay for Estimating Inhibitor Potency
IC50
69.0±n/a nM
Citation
 Hils, M; Pasternack, R; Büchold, C Inhibitors of blood coagulation factor XIII US Patent  US11472838 Publication Date 10/18/2022 
Target
Name:
Coagulation factor XIII A chain
Synonyms:
Coagulation factor XIII | F13A | F13A1 | F13A_HUMAN
Type:
PROTEIN
Mol. Mass.:
83261.29
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1475048
Residue:
732
Sequence:
MSETSRTAFGGRRAVPPNNSNAAEDDLPTVELQGVVPRGVNLQEFLNVTSVHLFKERWDTNKVDHHTDKYENNKLIVRRGQSFYVQIDFSRPYDPRRDLFRVEYVIGRYPQENKGTYIPVPIVSELQSGKWGAKIVMREDRSVRLSIQSSPKCIVGKFRMYVAVWTPYGVLRTSRNPETDTYILFNPWCEDDAVYLDNEKEREEYVLNDIGVIFYGEVNDIKTRSWSYGQFEDGILDTCLYVMDRAQMDLSGRGNPIKVSRVGSAMVNAKDDEGVLVGSWDNIYAYGVPPSAWTGSVDILLEYRSSENPVRYGQCWVFAGVFNTFLRCLGIPARIVTNYFSAHDNDANLQMDIFLEEDGNVNSKLTKDSVWNYHCWNEAWMTRPDLPVGFGGWQAVDSTPQENSDGMYRCGPASVQAIKHGHVCFQFDAPFVFAEVNSDLIYITAKKDGTHVVENVDATHIGKLIVTKQIGGDGMMDITDTYKFQEGQEEERLALETALMYGAKKPLNTEGVMKSRSNVDMDFEVENAVLGKDFKLSITFRNNSHNRYTITAYLSANITFYTGVPKAEFKKETFDVTLEPLSFKKEAVLIQAGEYMGQLLEQASLHFFVTARINETRDVLAKQKSTVLTIPEIIIKVRGTQVVGSDMTVTVQFTNPLKETLRNVWVHLDGPGVTRPMKKMFREIRPNSTVQWEEVCRPWVSGHRKLIASMSSDSLRHVYGELDVQIQRRPSM
  
Inhibitor
Name:
BDBM577497
Synonyms:
US11472838, Compound 15a/b
Type:
Small organic molecule
Emp. Form.:
C41H58N8O10
Mol. Mass.:
822.9468
SMILES:
CC(C)(C)[C@H](NC(=O)[C@H](CC\C=C\C(N)=O)NC(=O)c1ccncc1C(O)=O)C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O |r,$;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;$|
Structure:
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