Reaction Details Report a problem with these data
Target
Protein-arginine deiminase type-4
Ligand
BDBM528723
Substrate
n/a
Meas. Tech.
Biological Assay (RFMS)
IC50
3000±n/a nM
Citation
 Devraj, R; Kumaravel, G; Atton, H; Beaumont, E; Gadouleau, E; Gleave, L; Kerry, PS; Lecci, C; Meniconi, M; Monck, N; Palfrey, J; Papadopoulos, K; Tye, H; Woods, PA Heteroaryl inhibitors of PAD4 US Patent  US11198681 Publication Date 12/14/2021 
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:
BDBM528723
Synonyms:
US11198681, Compound I-50
Type:
Small organic molecule
Emp. Form.:
C25H30N6O2
Mol. Mass.:
446.5447
SMILES:
CCn1c(nc2cc(cc(OC)c12)C(=O)N1CCC[C@@H](N)C1)-c1ccc(C#N)n1CC1CC1 |r|
Structure:
Search PDB for entries with ligand similarity: