Reaction Details Report a problem with these data
Target
Protein-glutamine gamma-glutamyltransferase K
Ligand
BDBM50420474
Substrate
n/a
Meas. Tech.
ChEMBL_841032 (CHEMBL2091158)
IC50
18±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 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:
BDBM50420474
Synonyms:
CHEMBL2086889 | US9073941, 607
Type:
Small organic molecule
Emp. Form.:
C15H15N5O3
Mol. Mass.:
313.3113
SMILES:
CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(OC)cc1
Structure:
Search PDB for entries with ligand similarity: