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Target
Protein-arginine deiminase type-4
Ligand
BDBM449859
Substrate
n/a
Meas. Tech.
RapidFire Mass Spectrometry (RFMS) Activity Assay
IC50
550±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:
PADI4_MOUSE | Pad4 | Pad4 | Padi4 | Pdi4 | Peptidylarginine deiminase IV | Protein-arginine deiminase type IV | Protein-arginine deiminase type-4
Type:
PROTEIN
Mol. Mass.:
74419.41
Organism:
Mus musculus
Description:
ChEMBL_109581
Residue:
666
Sequence:
MAQGAVIHVAPEQPTHAVCVVGTATPLDVRGSAPKGYTTFGITASPGVIVDVIHGPPVKKSTMGASKWPLDPELEVTLQVKAASSRTDDEKVRVSYYGPKTSPVQALIYITGVELSLSADVTRTGRVKPAQAGKDQSTWTWGPGGRGAILLVNCDKEDPQASGMDFEDDKILDNKDLQDMSPMTLSTKTPKDFFEKYQLVLEVPKAKMNRVRVFRATRGKLPSRYKVALGPQQFSYCLELPGGQHSTDFYVEGLAFPDADFKGLIPLTISLLDKSNPELPEALVFQDSVTFRVAPWIMTPNTQPPQEVYVCRVSDNEDFLKSLATLTKKAKCKLTVCPEEENIDDQWMQDEMEIGYIQAPHKTLPVVFDSPRDRGLKDFPVKRVMGPNFGYVTRKLYMSELTGLDAFGNLEVSPPVTVRGKEYPLGRILIGNSGYSSSESRDMHQALQDFLSAQQVQAPVRLFSDWLFVGHVDEFLSFVPARDKQGFRLLLSSPRACYQLFQELQSQGHGEATLFEGLKRKRQTINEILSNKKLRDQNAYVESCIDWNRAVLKRELGLAEGDIIDIPQLFKLAGNSRGNSKAQAFFPNMVNMLVLGKYLGIPKPFGPIIDGHCCLEEEVRSHLEPLGLHCTFINDFYTYHVYNGEVHCGTNVRRKPFTFKWWHMVP
  
Inhibitor
Name:
BDBM449859
Synonyms:
US10703741, Compound I-2
Type:
Small organic molecule
Emp. Form.:
C32H39N7O3
Mol. Mass.:
569.6972
SMILES:
COc1cc(cc2nc(-c3cc4ccccc4n3CC3CC3)n(C)c12)C(=O)N[C@@H]1CNC[C@H]1NC(=O)\C=C\CN(C)C
Structure:
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