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Target
Protein-arginine deiminase type-4
Ligand
BDBM449861
Substrate
n/a
Meas. Tech.
RapidFire Mass Spectrometry (RFMS) Activity Assay
IC50
5500±n/a nM
Citation
 Beaumont, EJ; Devraj, R; Kerry, PS; Kumaravel, G; Loke, PL; Meniconi, M; Palfrey, JJ; North, C; Lecci, C; Tye, H Covalent inhibitors of PAD4 US Patent  US10703741 Publication Date 7/7/2020 
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:
BDBM449861
Synonyms:
US10703741, Compound I-4 | US10703741, Compound I-9
Type:
Small organic molecule
Emp. Form.:
C30H36N8O2
Mol. Mass.:
540.6592
SMILES:
CN(C)C\C=C\C(=O)N[C@@H]1CNC[C@H]1NC(=O)c1ccc2n(C)c(nc2c1)-c1cc2cccnc2n1CC1CC1
Structure:
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