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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Protein-arginine deiminase type-4 | ||
| Ligand | BDBM52947 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_468732 (CHEMBL929914) | ||
| IC50 | 860000±n/a nM | ||
| Citation |  Knuckley, B; Luo, Y; Thompson, PR Profiling Protein Arginine Deiminase 4 (PAD4): a novel screen to identify PAD4 inhibitors. Bioorg Med Chem16:739-45 (2008) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Protein-arginine deiminase type-4 | |||
| Name: | Protein-arginine deiminase type-4 | ||
| Synonyms: | PAD4 | PADI4 | PADI4_HUMAN | PADI5 | PDI5 | ||
| Type: | Enzyme Catalytic Domain | ||
| Mol. Mass.: | 74078.90 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | gi_216548487 | ||
| Residue: | 663 | ||
| Sequence: |
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| BDBM52947 | |||
| n/a | |||
| Name | BDBM52947 | ||
| Synonyms: | (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione;ethanol;hydrate;hydrochloride | (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione;ethanol;hydrate;hydrochloride | (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-6-methyl-5,10,11,12a-tetrakis(oxidanyl)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione;ethanol;hydrate;hydrochloride | Doxycycline | Doxycycline hyclate | MLS001056533 | SMR000326704 | cid_16746590 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C22H24N2O8 | ||
| Mol. Mass. | 444.4346 | ||
| SMILES | C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2C(=O)c2c(O)cccc12 | ||
| Structure | 
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