Reaction Details |
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Target | Protein-arginine deiminase type-4 |
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Ligand | BDBM646114 |
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Substrate/Competitor | n/a |
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Meas. Tech. | In Vitro PAD4 BAEE Biochemical Assay |
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IC50 | 28.4±n/a nM |
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Citation | Byun, DH; Cai, ZR; Canales, EY; Debien, LP; Hansen, TR; Huang, R; Jansa, P; Lee, RA; Loyer-Drew, JA; McFadden, R; Mitchell, ML; Pyun, H; Saito, RD; Sangi, MS; Schrier, AJ; Shatskikh, ME; Taylor, JG; Van Veldhuizen, JJ; Xu, L Inhibitors of peptidylarginine deiminases US Patent US11878965 Publication Date 1/23/2024 |
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More Info.: | Get all data from this article, Assay Method |
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Protein-arginine deiminase type-4 |
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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: | MAQGTLIRVTPEQPTHAVCVLGTLTQLDICSSAPEDCTSFSINASPGVVVDIAHGPPAKK
KSTGSSTWPLDPGVEVTLTMKVASGSTGDQKVQISYYGPKTPPVKALLYLTGVEISLCAD
ITRTGKVKPTRAVKDQRTWTWGPCGQGAILLVNCDRDNLESSAMDCEDDEVLDSEDLQDM
SLMTLSTKTPKDFFTNHTLVLHVARSEMDKVRVFQATRGKLSSKCSVVLGPKWPSHYLMV
PGGKHNMDFYVEALAFPDTDFPGLITLTISLLDTSNLELPEAVVFQDSVVFRVAPWIMTP
NTQPPQEVYACSIFENEDFLKSVTTLAMKAKCKLTICPEEENMDDQWMQDEMEIGYIQAP
HKTLPVVFDSPRNRGLKEFPIKRVMGPDFGYVTRGPQTGGISGLDSFGNLEVSPPVTVRG
KEYPLGRILFGDSCYPSNDSRQMHQALQDFLSAQQVQAPVKLYSDWLSVGHVDEFLSFVP
APDRKGFRLLLASPRSCYKLFQEQQNEGHGEALLFEGIKKKKQQKIKNILSNKTLREHNS
FVERCIDWNRELLKRELGLAESDIIDIPQLFKLKEFSKAEAFFPNMVNMLVLGKHLGIPK
PFGPVINGRCCLEEKVCSLLEPLGLQCTFINDFFTYHIRHGEVHCGTNVRRKPFSFKWWN
MVP
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BDBM646114 |
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n/a |
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Name | BDBM646114 |
Synonyms: | ((R)-3-aminopiperidin-1-yl)(1- cyclopropyl-2-(1- (cyclopropylmethyl)-6-((S)-3- methyl-1,1-dioxido-1,2- thiazinan-2-yl)-1H- pyrrolo[2,3-b]pyridin-2-yl)-1H- benzo[d]imidazol-5-yl) methanone | US11878965, Example 99 |
Type | Small organic molecule |
Emp. Form. | C32H39N7O3S |
Mol. Mass. | 601.762 |
SMILES | C[C@H]1CCCS(=O)(=O)N1c1ccc2cc(-c3nc4cc(ccc4n3C3CC3)C(=O)N3CCC[C@@H](N)C3)n(CC3CC3)c2n1 |r| |
Structure |
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