Reaction Details |
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Target | Protein-arginine deiminase type-4 |
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Ligand | BDBM50581619 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2151759 (CHEMBL5036221) |
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IC50 | 5.0±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 |
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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BDBM50581619 |
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n/a |
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Name | BDBM50581619 |
Synonyms: | CHEMBL5083901 |
Type | Small organic molecule |
Emp. Form. | C35H41F2N7O3 |
Mol. Mass. | 645.7419 |
SMILES | [H][C@@]12C(CCCCCn3c(cc4ccc(nc34)C(C)NC1=O)-c1nc3cc(cc(OC)c3n1C)C(=O)N1C[C@H](N)[C@]3([H])CC[C@@]1([H])C3)C2(F)F |r| |
Structure |
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