Reaction Details  Report a problem with these data
Target
Coagulation factor XIII A chain [Q652E]
Ligand
BDBM185176
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:
BDBM185176
Synonyms:
[2-[[2-[4-(1-Adamantylmethoxycarbonyl)piperazin-1-yl]-2-oxo-ethyl]amino]-2-oxoethyl]-dimethyl-sulfonium bromide (1f)
Type:
Small organic molecule
Emp. Form.:
C22H36N3O4S
Mol. Mass.:
438.603
SMILES:
C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCC12CC3CC(CC(C3)C1)C2 |TLB:23:24:28:22.27.21,27:22:29:26.28.25,27:26:29:23.22.21,THB:23:22:28:29.24.25|
Structure:
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