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Target
Thyroid peroxidase
Ligand
BDBM50543852
Substrate
n/a
Meas. Tech.
ChEMBL_1990504 (CHEMBL4624239)
IC50
5900±n/a nM
Citation
 Patnaik, A; Axford, L; Deng, L; Cohick, E; Ren, X; Loi, S; Kecman, S; Hollis-Symynkywicz, M; Harrison, TJ; Papillon, JPN; Dales, N; Hamann, LG; Lee, L; Regard, JB; Marcinkeviciene, J; Marro, ML; Patterson, AW Discovery of a novel indole pharmacophore for the irreversible inhibition of myeloperoxidase (MPO). 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:
BDBM50543852
Synonyms:
CHEMBL4633000
Type:
Small organic molecule
Emp. Form.:
C21H15F3N6
Mol. Mass.:
408.3792
SMILES:
FC(F)(F)c1nn(cc1-c1ccc2cc[nH]c2c1)-c1ccc(Cc2nc[nH]n2)cc1
Structure:
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