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Target
Protein-glutamine gamma-glutamyltransferase 2
Ligand
BDBM50420504
Substrate
n/a
Meas. Tech.
ChEMBL_841030 (CHEMBL2091156)
IC50
54±n/a nM
Citation
 Prime, ME; Andersen, OA; Barker, JJ; Brooks, MA; Cheng, RK; Toogood-Johnson, I; Courtney, SM; Brookfield, FA; Yarnold, CJ; Marston, RW; Johnson, PD; Johnsen, SF; Palfrey, JJ; Vaidya, D; Erfan, S; Ichihara, O; Felicetti, B; Palan, S; Pedret-Dunn, A; Schaertl, S; Sternberger, I; Ebneth, A; Scheel, A; Winkler, D; Toledo-Sherman, L; Beconi, M; Macdonald, D; Muñoz-Sanjuan, I; Dominguez, C; Wityak, J Discovery and structure-activity relationship of potent and selective covalent inhibitors of transglutaminase 2 for Huntington's disease. J Med Chem 55:1021-46 (2012) [PubMed]  Article 
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:
BDBM50420504
Synonyms:
CHEMBL2086507
Type:
Small organic molecule
Emp. Form.:
C21H22FN3O5S
Mol. Mass.:
447.48
SMILES:
Fc1ccc(COC(=O)N2CCN(CC2)S(=O)(=O)c2ccc(NC(=O)C=C)cc2)cc1
Structure:
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