Reaction Details Report a problem with these data
Target
Coagulation factor XIII A chain [Q652E]
Ligand
BDBM185177
Substrate
n/a
Meas. Tech.
TG Activity Assays
IC50
>1.00e+5±n/a nM
Citation
 Badarau, E; Wang, Z; Rathbone, DL; Costanzi, A; Thibault, T; Murdoch, CE; El Alaoui, S; Bartkeviciute, M; Griffin, M Development of Potent and Selective Tissue Transglutaminase Inhibitors: Their Effect on TG2 Function and Application in Pathological Conditions. Chem Biol 22:1347-61 (2015) [PubMed]  Article 
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:
BDBM185177
Synonyms:
1-Adamantylmethyl 4-[2-(prop-2-enoylamino)acetyl]piperazine-1-carboxylate (3f)
Type:
Small organic molecule
Emp. Form.:
C21H31N3O4
Mol. Mass.:
389.4885
SMILES:
C=CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCC12CC3CC(CC(C3)C1)C2 |TLB:21:22:26:20.25.19,25:20:27:24.26.23,25:24:27:21.20.19,THB:21:20:26:27.22.23|
Structure:
Search PDB for entries with ligand similarity: