Reaction Details Report a problem with these data
Target
Coagulation factor XIII A chain
Ligand
BDBM577483
Substrate
n/a
Meas. Tech.
Transamidation Assay for Determining Inhibitor Selectivity
IC50
16.0±n/a nM
Citation
 Hils, M; Pasternack, R; Büchold, C Inhibitors of blood coagulation factor XIII US Patent  US11472838 Publication Date 10/18/2022  BDB Entry
Target
Name:
Coagulation factor XIII A chain
Synonyms:
n/a
Type:
Protein
Mol. Mass.:
83341.88
Organism:
Pig
Description:
K7GQL2
Residue:
735
Sequence:
MAETPGTGAAFGGRRALPPNTSNAEENDPPTVELQGGLMPRGFNPQDYLNVTDVHLFKERWDSNKVDHHTDKYDSKKLIVRRGQPFYIQIDFSRPYDPRRDLFRVEYVIGRYPQENKGTYIPVPIVSELQRGKWGAKVITTEDRSVRLSVQPSPDCIVGKFRMYVAVWTPYGVIRTSRNPETDTYILFNPWCEEDAVYLDNDKEREEYVLNDIGVIFYGEFNDIKSRSWSYGQFEEGILDACLYMMDRAKMDLSGRGNPIKVSRVGSAMVNAKDDEGVLVGSWDNVYSYGVPPSAWTGSVDILLEYKSSQTPVRYGQCWVFAGVFNTFLRCLGIPARVVTNYFSAHDNNANLQLDIFLEEDGNVNSKLTKDSVWNYHCWNEAWMTRPDLPVGFGGWQVVDSTPQENSDGMYRCGPASVQAIKHGHVCFQFDAPFVFAEVNSDVIYITAKKDGTHVVKTLDTTHIGKLIVTKQVGADGMKDITDTYKFQEGQEEERLALETALMYGAKKPLSTEGIPKSRSDIHMDFEVERAVLGRDFKVVLTFRNNSPTRYSVTAYLSGNITFYTGVSKGEFKNETFNVTLEPLSFKTEAVWVRAGEYMGQLLEQAFLHFFVTARVNETNDVLAKQKSVVLTIPKISVKVRGTQAVGSDMVVTVEFTNPLNEPLQNVWMRLDGPGVTRPLRKIFREIRPNATVQWEEVCRPWVSGPRKLMASMTSDSLRHVYGELNLHIQRRPSV
  
Inhibitor
Name:
BDBM577483
Synonyms:
US11472838, Compound 5
Type:
Small organic molecule
Emp. Form.:
C42H59N7O11
Mol. Mass.:
837.9582
SMILES:
COC(=O)\C=C\CC[C@H](NC(=O)c1ccncc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
Structure:
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