Reaction Details Report a problem with these data
Target
Coagulation factor XIII A chain
Ligand
BDBM50083719
Substrate
n/a
Meas. Tech.
ChEMBL_1475035 (CHEMBL3424606)
IC50
430±n/a nM
Citation
 Avery, CA; Pease, RJ; Smith, K; Boothby, M; Buckley, HM; Grant, PJ; Fishwick, CW (±) cis-Bisamido epoxides: A novel series of potent FXIII-A inhibitors. Eur J Med Chem 98:49-53 (2015) [PubMed]  Article 
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:
BDBM50083719
Synonyms:
CHEMBL3423201
Type:
Small organic molecule
Emp. Form.:
C16H13N3O6
Mol. Mass.:
343.2909
SMILES:
NC(=O)[C@@H]1O[C@@H]1C(=O)Nc1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: