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Target
Thyroid peroxidase
Ligand
BDBM312261
Substrate
n/a
Meas. Tech.
Pharmacological Activity Assay
IC50
38000±n/a nM
Citation
 Inghardt, TB; Johannesson, P; Jurva, U; Michaelsson, E; Lindstedt-Alstermark, E; Tomkinson, N; Stonehouse, JP; Gan, L 1-[2-(aminomethyl)benzyl]-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-ones as inhibitors of myeloperoxidase US Patent  US11000525 Publication Date 5/11/2021 
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:
BDBM312261
Synonyms:
1-{2-[(Propan-2-ylamino)methyl]benzyl}-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one | US10016430, Example 13 | US11000525, Example 13 | US9616063, 13
Type:
Small organic molecule
Emp. Form.:
C17H20N4OS
Mol. Mass.:
328.432
SMILES:
CC(C)NCc1ccccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |$;;;HN;;;;;;;;;;;;;HN;;;;;;$|
Structure:
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