Reaction Details Report a problem with these data
Target
Thyroid peroxidase
Ligand
BDBM50507390
Substrate
n/a
Meas. Tech.
ChEMBL_1829876 (CHEMBL4329750)
IC50
4000±n/a nM
Citation
 Wurtz, NR; Viet, A; Shaw, SA; Dilger, A; Valente, MN; Khan, JA; Jusuf, S; Narayanan, R; Fernando, G; Lo, F; Liu, X; Locke, GA; Kopcho, L; Abell, LM; Sleph, P; Basso, M; Zhao, L; Wexler, RR; Duclos, F; Kick, EK Potent Triazolopyridine Myeloperoxidase Inhibitors. ACS Med Chem Lett 9:1175-1180 (2018) [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:
BDBM50507390
Synonyms:
CHEMBL4482878 | US10981879, Example 3
Type:
Small organic molecule
Emp. Form.:
C12H10FN5S
Mol. Mass.:
275.305
SMILES:
Nc1cc(SCc2ccccc2F)c2nn[nH]c2n1
Structure:
Search PDB for entries with ligand similarity: