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Target
Protein-arginine deiminase type-4
Ligand
BDBM50581619
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:
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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