| Reaction Details |
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 | Report a problem with these data |
| Target | Protein-arginine deiminase type-4 |
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| Ligand | BDBM50581622 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2151759 (CHEMBL5036221) |
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| IC50 | 6.0±n/a nM |
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| Citation |  Sabnis, RW Novel Macrocyclic Peptidylarginine Deiminase Type 4 (PAD4) Inhibitors. ACS Med Chem Lett13:27-28 (2022) [PubMed] Article |
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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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| BDBM50581622 |
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| n/a |
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| Name | BDBM50581622 |
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| Synonyms: | CHEMBL5080973 |
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| Type | Small organic molecule |
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| Emp. Form. | C35H40ClF2N7O2 |
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| Mol. Mass. | 664.188 |
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| SMILES | [H][C@@]12CC1CCCC(F)(F)Cn1c(cc3ccc(nc13)C(C)NC2=O)-c1nc2cc(cc(Cl)c2n1C1CC1)C(=O)N1CCC[C@@H](N)[C@H]1C |r| |
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| Structure | 
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