Reaction Details Report a problem with these data
Target
Protein-glutamine gamma-glutamyltransferase K
Ligand
BDBM185168
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:
Protein-glutamine gamma-glutamyltransferase K
Synonyms:
KTG | Protein-glutamine gamma-glutamyltransferase K | TGM1 | TGM1_HUMAN | Transglutaminase-1 (TG1)
Type:
Protein
Mol. Mass.:
89778.63
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
817
Sequence:
MMDGPRSDVGRWGGNPLQPPTTPSPEPEPEPDGRSRRGGGRSFWARCCGCCSCRNAADDDWGPEPSDSRGRGSSSGTRRPGSRGSDSRRPVSRGSGVNAAGDGTIREGMLVVNGVDLLSSRSDQNRREHHTDEYEYDELIVRRGQPFHMLLLLSRTYESSDRITLELLIGNNPEVGKGTHVIIPVGKGGSGGWKAQVVKASGQNLNLRVHTSPNAIIGKFQFTVRTQSDAGEFQLPFDPRNEIYILFNPWCPEDIVYVDHEDWRQEYVLNESGRIYYGTEAQIGERTWNYGQFDHGVLDACLYILDRRGMPYGGRGDPVNVSRVISAMVNSLDDNGVLIGNWSGDYSRGTNPSAWVGSVEILLSYLRTGYSVPYGQCWVFAGVTTTVLRCLGLATRTVTNFNSAHDTDTSLTMDIYFDENMKPLEHLNHDSVWNFHVWNDCWMKRPDLPSGFDGWQVVDATPQETSSGIFCCGPCSVESIKNGLVYMKYDTPFIFAEVNSDKVYWQRQDDGSFKIVYVEEKAIGTLIVTKAISSNMREDITYLYKHPEGSDAERKAVETAAAHGSKPNVYANRGSAEDVAMQVEAQDAVMGQDLMVSVMLINHSSSRRTVKLHLYLSVTFYTGVSGTIFKETKKEVELAPGASDRVTMPVAYKEYRPHLVDQGAMLLNVSGHVKESGQVLAKQHTFRLRTPDLSLTLLGAAVVGQECEVQIVFKNPLPVTLTNVVFRLEGSGLQRPKILNVGDIGGNETVTLRQSFVPVRPGPRQLIASLDSPQLSQVHGVIQVDVAPAPGDGGFFSDAGGDSHLGETIPMASRGGA
  
Inhibitor
Name:
BDBM185168
Synonyms:
[2-[[2-[4-[(4-Methoxycarbonylphenyl)methoxycarbonyl]piperazin-1-yl]-2-oxo-ethyl]-amino]-2-oxo-ethyl]-dimethyl-sulfonium bromide (1b)
Type:
Small organic molecule
Emp. Form.:
C20H28N3O6S
Mol. Mass.:
438.517
SMILES:
COC(=O)c1ccc(COC(=O)N2CCN(CC2)C(=O)CNC(=O)C[S+](C)C)cc1
Structure:
Search PDB for entries with ligand similarity: