Reaction Details Report a problem with these data
Target
Thyroid peroxidase
Ligand
BDBM357629
Substrate
n/a
Meas. Tech.
ChEMBL_2048422 (CHEMBL4703121)
IC50
2200±n/a nM
Citation
 Shaw, SA; Vokits, BP; Dilger, AK; Viet, A; Clark, CG; Abell, LM; Locke, GA; Duke, G; Kopcho, LM; Dongre, A; Gao, J; Krishnakumar, A; Jusuf, S; Khan, J; Spronk, SA; Basso, MD; Zhao, L; Cantor, GH; Onorato, JM; Wexler, RR; Duclos, F; Kick, EK Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase. Bioorg Med Chem 28:0 (2020) [PubMed]  Article 
Target
Name:
Thyroid peroxidase
Synonyms:
PERT_HUMAN | TPO | Thyroid peroxidase | Thyroid peroxidase (TPO)
Type:
Enzyme
Mol. Mass.:
102965.07
Organism:
Homo sapiens (Human)
Description:
P07202
Residue:
933
Sequence:
MRALAVLSVTLVMACTEAFFPFISRGKELLWGKPEESRVSSVLEESKRLVDTAMYATMQRNLKKRGILSPAQLLSFSKLPEPTSGVIARAAEIMETSIQAMKRKVNLKTQQSQHPTDALSEDLLSIIANMSGCLPYMLPPKCPNTCLANKYRPITGACNNRDHPRWGASNTALARWLPPVYEDGFSQPRGWNPGFLYNGFPLPPVREVTRHVIQVSNEVVTDDDRYSDLLMAWGQYIDHDIAFTPQSTSKAAFGGGADCQMTCENQNPCFPIQLPEEARPAAGTACLPFYRSSAACGTGDQGALFGNLSTANPRQQMNGLTSFLDASTVYGSSPALERQLRNWTSAEGLLRVHARLRDSGRAYLPFVPPRAPAACAPEPGIPGETRGPCFLAGDGRASEVPSLTALHTLWLREHNRLAAALKALNAHWSADAVYQEARKVVGALHQIITLRDYIPRILGPEAFQQYVGPYEGYDSTANPTVSNVFSTAAFRFGHATIHPLVRRLDASFQEHPDLPGLWLHQAFFSPWTLLRGGGLDPLIRGLLARPAKLQVQDQLMNEELTERLFVLSNSSTLDLASINLQRGRDHGLPGYNEWREFCGLPRLETPADLSTAIASRSVADKILDLYKHPDNIDVWLGGLAENFLPRARTGPLFACLIGKQMKALRDGDWFWWENSHVFTDAQRRELEKHSLSRVICDNTGLTRVPMDAFQVGKFPEDFESCDSITGMNLEAWRETFPQDDKCGFPESVENGDFVHCEESGRRVLVYSCRHGYELQGREQLTCTQEGWDFQPPLCKDVNECADGAHPPCHASARCRNTKGGFQCLCADPYELGDDGRTCVDSGRLPRVTWISMSLAALLIGGFAGLTSTVICRWTRTGTKSTLPISETGGGTPELRCGKHQAVGTSPQRAAAQDSEQESAGMEGRDTHRLPRAL
  
Inhibitor
Name:
BDBM357629
Synonyms:
7-benzyl-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | US10214527, Example 1
Type:
Small organic molecule
Emp. Form.:
C12H11N5
Mol. Mass.:
225.2492
SMILES:
Nc1cc(Cc2ccccc2)c2nn[nH]c2n1
Structure:
Search PDB for entries with ligand similarity: