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Target
Protein-glutamine gamma-glutamyltransferase 2
Ligand
BDBM50392904
Substrate
n/a
Meas. Tech.
ChEMBL_853388 (CHEMBL2155208)
IC50
550±n/a nM
Citation
 Prime, ME; Brookfield, FA; Courtney, SM; Gaines, S; Marston, RW; Ichihara, O; Li, M; Vaidya, D; Williams, H; Pedret-Dunn, A; Reed, L; Schaertl, S; Toledo-Sherman, L; Beconi, M; Macdonald, D; Muņoz-Sanjuan, I; Dominguez, C; Wityak, J Irreversible 4-Aminopiperidine Transglutaminase 2 Inhibitors for Huntington's Disease. ACS Med Chem Lett 3:731-735 (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:
BDBM50392904
Synonyms:
CHEMBL2152202
Type:
Small organic molecule
Emp. Form.:
C24H26F3N3O4S
Mol. Mass.:
509.541
SMILES:
FC(F)(F)c1ccc(CCNC(=O)c2ccc(cc2)S(=O)(=O)N2CCC(CC2)NC(=O)C=C)cc1
Structure:
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