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Target
Protein-arginine deiminase type-4
Ligand
BDBM50581620
Substrate
n/a
Meas. Tech.
ChEMBL_2151759 (CHEMBL5036221)
IC50
5.0±n/a nM
Citation
 Sabnis, RW Novel Macrocyclic Peptidylarginine Deiminase Type 4 (PAD4) Inhibitors. ACS Med Chem Lett 13:27-28 (2022) [PubMed]  Article 
Target
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:
MAQGTLIRVTPEQPTHAVCVLGTLTQLDICSSAPEDCTSFSINASPGVVVDIAHGPPAKKKSTGSSTWPLDPGVEVTLTMKVASGSTGDQKVQISYYGPKTPPVKALLYLTGVEISLCADITRTGKVKPTRAVKDQRTWTWGPCGQGAILLVNCDRDNLESSAMDCEDDEVLDSEDLQDMSLMTLSTKTPKDFFTNHTLVLHVARSEMDKVRVFQATRGKLSSKCSVVLGPKWPSHYLMVPGGKHNMDFYVEALAFPDTDFPGLITLTISLLDTSNLELPEAVVFQDSVVFRVAPWIMTPNTQPPQEVYACSIFENEDFLKSVTTLAMKAKCKLTICPEEENMDDQWMQDEMEIGYIQAPHKTLPVVFDSPRNRGLKEFPIKRVMGPDFGYVTRGPQTGGISGLDSFGNLEVSPPVTVRGKEYPLGRILFGDSCYPSNDSRQMHQALQDFLSAQQVQAPVKLYSDWLSVGHVDEFLSFVPAPDRKGFRLLLASPRSCYKLFQEQQNEGHGEALLFEGIKKKKQQKIKNILSNKTLREHNSFVERCIDWNRELLKRELGLAESDIIDIPQLFKLKEFSKAEAFFPNMVNMLVLGKHLGIPKPFGPVINGRCCLEEKVCSLLEPLGLQCTFINDFFTYHIRHGEVHCGTNVRRKPFSFKWWNMVP
  
Inhibitor
Name:
BDBM50581620
Synonyms:
CHEMBL5070080
Type:
Small organic molecule
Emp. Form.:
C38H43N7O3
Mol. Mass.:
647.8054
SMILES:
[H][C@@]12CC[C@@]([H])(C1)N(C(=O)c1cc(OC)c3n(C)c(nc3c1)-c1cc3ccc4nc3n1CCCCCc1ccccc1C(=O)NC4C)C([2H])([2H])[C@@H]2N |r|
Structure:
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