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Target
Protein-glutamine gamma-glutamyltransferase 2
Ligand
BDBM50608169
Substrate
n/a
Meas. Tech.
ChEMBL_2273115
Ki
1950±n/a nM
Citation
 Mader, L; Watt, SKI; Iyer, HR; Nguyen, L; Kaur, H; Keillor, JW The war on hTG2: warhead optimization in small molecule human tissue transglutaminase inhibitors. RSC Med Chem 14:277-298 (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:
Homo sapiens (Human)
Description:
P21980
Residue:
687
Sequence:
MAEELVLERCDLELETNGRDHHTADLCREKLVVRRGQPFWLTLHFEGRNYEASVDSLTFSVVTGPAPSQEAGTKARFPLRDAVEEGDWTATVVDQQDCTLSLQLTTPANAPIGLYRLSLEASTGYQGSSFVLGHFILLFNAWCPADAVYLDSEEERQEYVLTQQGFIYQGSAKFIKNIPWNFGQFEDGILDICLILLDVNPKFLKNAGRDCSRRSSPVYVGRVVSGMVNCNDDQGVLLGRWDNNYGDGVSPMSWIGSVDILRRWKNHGCQRVKYGQCWVFAAVACTVLRCLGIPTRVVTNYNSAHDQNSNLLIEYFRNEFGEIQGDKSEMIWNFHCWVESWMTRPDLQPGYEGWQALDPTPQEKSEGTYCCGPVPVRAIKEGDLSTKYDAPFVFAEVNADVVDWIQQDDGSVHKSINRSLIVGLKISTKSVGRDEREDITHTYKYPEGSSEEREAFTRANHLNKLAEKEETGMAMRIRVGQSMNMGSDFDVFAHITNNTAEEYVCRLLLCARTVSYNGILGPECGTKYLLNLNLEPFSEKSVPLCILYEKYRDCLTESNLIKVRALLVEPVINSYLLAERDLYLENPEIKIRILGEPKQKRKLVAEVSLQNPLPVALEGCTFTVEGAGLTEEQKTVEIPDPVEAGEEVKVRMDLLPLHMGLHKLVVNFESDKLKAVKGFRNVIIGPA
  
Inhibitor
Name:
BDBM50608169
Synonyms:
CHEMBL5290129
Type:
Small organic molecule
Emp. Form.:
C20H28BrN3O3
Mol. Mass.:
438.359
SMILES:
BrC(=C)C(=O)NCC(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:15:17:20.19.24:22,THB:25:17:20:24.23.22,25:23:20:17.26.18,18:17:20.19.24:22,18:19:17.26.25:22|
Structure:
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