| Reaction Details |
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 | Report a problem with these data |
| Target | Protein-arginine deiminase type-4 |
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| Ligand | BDBM646113 |
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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 | 18.9±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 |
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| Synonyms: | PAD4 | PADI4 | PADI4_HUMAN | PADI5 | PDI5 |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 74078.90 |
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| Organism: | Homo sapiens (Human) |
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| Description: | gi_216548487 |
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| Residue: | 663 |
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| Sequence: | MAQGTLIRVTPEQPTHAVCVLGTLTQLDICSSAPEDCTSFSINASPGVVVDIAHGPPAKK
KSTGSSTWPLDPGVEVTLTMKVASGSTGDQKVQISYYGPKTPPVKALLYLTGVEISLCAD
ITRTGKVKPTRAVKDQRTWTWGPCGQGAILLVNCDRDNLESSAMDCEDDEVLDSEDLQDM
SLMTLSTKTPKDFFTNHTLVLHVARSEMDKVRVFQATRGKLSSKCSVVLGPKWPSHYLMV
PGGKHNMDFYVEALAFPDTDFPGLITLTISLLDTSNLELPEAVVFQDSVVFRVAPWIMTP
NTQPPQEVYACSIFENEDFLKSVTTLAMKAKCKLTICPEEENMDDQWMQDEMEIGYIQAP
HKTLPVVFDSPRNRGLKEFPIKRVMGPDFGYVTRGPQTGGISGLDSFGNLEVSPPVTVRG
KEYPLGRILFGDSCYPSNDSRQMHQALQDFLSAQQVQAPVKLYSDWLSVGHVDEFLSFVP
APDRKGFRLLLASPRSCYKLFQEQQNEGHGEALLFEGIKKKKQQKIKNILSNKTLREHNS
FVERCIDWNRELLKRELGLAESDIIDIPQLFKLKEFSKAEAFFPNMVNMLVLGKHLGIPK
PFGPVINGRCCLEEKVCSLLEPLGLQCTFINDFFTYHIRHGEVHCGTNVRRKPFSFKWWN
MVP
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| BDBM646113 |
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| n/a |
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| Name | BDBM646113 |
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| Synonyms: | ((1R,2R,4S)-2-amino-7- azabicyclo[2.2.1]heptan-7-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 98 |
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| Type | Small organic molecule |
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| Emp. Form. | C33H39N7O3S |
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| Mol. Mass. | 613.773 |
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| SMILES | C[C@H]1CCCS(=O)(=O)N1c1ccc2cc(-c3nc4cc(ccc4n3C3CC3)C(=O)N3[C@H]4CC[C@@H]3[C@H](N)C4)n(CC3CC3)c2n1 |r,THB:27:29:34.36:32.31| |
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| Structure | 
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