Reaction Details Report a problem with these data
Target
Protein-glutamine gamma-glutamyltransferase 2
Ligand
BDBM50608194
Substrate
n/a
Meas. Tech.
ChEMBL_2273186
Ki
2100±n/a nM
Citation
 Cundy, NJ; Arciszewski, J; Gates, EWJ; Acton, SL; Passley, KD; Awoonor-Williams, E; Boyd, EK; Xu, N; Pierson, É; Fernandez-Ansieta, C; Albert, MR; McNeil, NMR; Adhikary, G; Eckert, RL; Keillor, JW Novel irreversible peptidic inhibitors of transglutaminase 2. RSC Med Chem 14:378-385 (2023) [PubMed] 
Target
Name:
Protein-glutamine gamma-glutamyltransferase 2
Synonyms:
Protein-glutamine gamma-glutamyltransferase | Protein-glutamine gamma-glutamyltransferase 2 (TG2) | TGM2 | TGM2_HUMAN | Tissue transglutaminase | Tissue transglutaminase (TG2) | Transglutaminase 2 (TGM2) | Transglutaminase C | Transglutaminase-2
Type:
Protein
Mol. Mass.:
77309.30
Organism:
Human
Description:
P21980
Residue:
687
Sequence:
MAEELVLERCDLELETNGRDHHTADLCREKLVVRRGQPFWLTLHFEGRNYEASVDSLTFSVVTGPAPSQEAGTKARFPLRDAVEEGDWTATVVDQQDCTLSLQLTTPANAPIGLYRLSLEASTGYQGSSFVLGHFILLFNAWCPADAVYLDSEEERQEYVLTQQGFIYQGSAKFIKNIPWNFGQFEDGILDICLILLDVNPKFLKNAGRDCSRRSSPVYVGRVVSGMVNCNDDQGVLLGRWDNNYGDGVSPMSWIGSVDILRRWKNHGCQRVKYGQCWVFAAVACTVLRCLGIPTRVVTNYNSAHDQNSNLLIEYFRNEFGEIQGDKSEMIWNFHCWVESWMTRPDLQPGYEGWQALDPTPQEKSEGTYCCGPVPVRAIKEGDLSTKYDAPFVFAEVNADVVDWIQQDDGSVHKSINRSLIVGLKISTKSVGRDEREDITHTYKYPEGSSEEREAFTRANHLNKLAEKEETGMAMRIRVGQSMNMGSDFDVFAHITNNTAEEYVCRLLLCARTVSYNGILGPECGTKYLLNLNLEPFSEKSVPLCILYEKYRDCLTESNLIKVRALLVEPVINSYLLAERDLYLENPEIKIRILGEPKQKRKLVAEVSLQNPLPVALEGCTFTVEGAGLTEEQKTVEIPDPVEAGEEVKVRMDLLPLHMGLHKLVVNFESDKLKAVKGFRNVIIGPA
  
Inhibitor
Name:
BDBM50608194
Synonyms:
CHEMBL5281708
Type:
Small organic molecule
Emp. Form.:
C41H45N5O6
Mol. Mass.:
703.8259
SMILES:
C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ccccc12 |r|
Structure:
Search PDB for entries with ligand similarity: