| Reaction Details |
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 | Report a problem with these data |
| Target | Thyroid peroxidase |
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| Ligand | BDBM312258 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Pharmacological Activity Assay |
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| IC50 | 46000±n/a nM |
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| 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 US10016430 Publication Date 7/10/2018 |
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| More Info.: | Get all data from this article, Assay Method |
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| Thyroid peroxidase |
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| Name: | Thyroid peroxidase |
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| Synonyms: | PERT_HUMAN | TPO | Thyroid peroxidase | Thyroid peroxidase (TPO) |
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| Type: | Enzyme |
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| Mol. Mass.: | 102965.07 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P07202 |
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| Residue: | 933 |
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| Sequence: | MRALAVLSVTLVMACTEAFFPFISRGKELLWGKPEESRVSSVLEESKRLVDTAMYATMQR
NLKKRGILSPAQLLSFSKLPEPTSGVIARAAEIMETSIQAMKRKVNLKTQQSQHPTDALS
EDLLSIIANMSGCLPYMLPPKCPNTCLANKYRPITGACNNRDHPRWGASNTALARWLPPV
YEDGFSQPRGWNPGFLYNGFPLPPVREVTRHVIQVSNEVVTDDDRYSDLLMAWGQYIDHD
IAFTPQSTSKAAFGGGADCQMTCENQNPCFPIQLPEEARPAAGTACLPFYRSSAACGTGD
QGALFGNLSTANPRQQMNGLTSFLDASTVYGSSPALERQLRNWTSAEGLLRVHARLRDSG
RAYLPFVPPRAPAACAPEPGIPGETRGPCFLAGDGRASEVPSLTALHTLWLREHNRLAAA
LKALNAHWSADAVYQEARKVVGALHQIITLRDYIPRILGPEAFQQYVGPYEGYDSTANPT
VSNVFSTAAFRFGHATIHPLVRRLDASFQEHPDLPGLWLHQAFFSPWTLLRGGGLDPLIR
GLLARPAKLQVQDQLMNEELTERLFVLSNSSTLDLASINLQRGRDHGLPGYNEWREFCGL
PRLETPADLSTAIASRSVADKILDLYKHPDNIDVWLGGLAENFLPRARTGPLFACLIGKQ
MKALRDGDWFWWENSHVFTDAQRRELEKHSLSRVICDNTGLTRVPMDAFQVGKFPEDFES
CDSITGMNLEAWRETFPQDDKCGFPESVENGDFVHCEESGRRVLVYSCRHGYELQGREQL
TCTQEGWDFQPPLCKDVNECADGAHPPCHASARCRNTKGGFQCLCADPYELGDDGRTCVD
SGRLPRVTWISMSLAALLIGGFAGLTSTVICRWTRTGTKSTLPISETGGGTPELRCGKHQ
AVGTSPQRAAAQDSEQESAGMEGRDTHRLPRAL
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| BDBM312258 |
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| n/a |
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| Name | BDBM312258 |
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| Synonyms: | 1-(2-{[(2-Methylpropyl)amino]methyl}benzyl)-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one | US10016430, Example 12 | US11000525, Example 12 | US9616063, 12 |
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| Type | Small organic molecule |
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| Emp. Form. | C18H22N4OS |
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| Mol. Mass. | 342.458 |
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| SMILES | CC(C)CNCc1ccccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |$;;;;HN;;;;;;;;;;;;;HN;;;;;;$| |
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| Structure | 
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