| Reaction Details |
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 | Report a problem with these data |
| Target | Protein-arginine deiminase type-4 |
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| Ligand | BDBM646071 |
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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 | 36.2±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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| BDBM646071 |
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| n/a |
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| Name | BDBM646071 |
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| Synonyms: | N-(2-(5-((1R,2R,5R)-2-amino- 8-azabicyclo[3.2.1]octane-8- carbonyl)-1-cyclopropyl-1H- benzo[d]imidazol- 2-yl)-1-(cyclopropylmethyl)-1H- pyrrolo[2,3-b]pyridin-6-yl)-N- (difluoromethyl) methanesulfonamide | US11878965, Example 56 |
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| Type | Small organic molecule |
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| Emp. Form. | C31H35F2N7O3S |
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| Mol. Mass. | 623.717 |
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| SMILES | CS(=O)(=O)N(C(F)F)c1ccc2cc(-c3nc4cc(ccc4n3C3CC3)C(=O)N3[C@H]4CC[C@@H]3[C@H](N)CC4)n(CC3CC3)c2n1 |r,THB:26:28:33.35.36:30.31| |
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| Structure | 
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