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Target
Protein-arginine deiminase type-4
Ligand
BDBM528747
Substrate
n/a
Meas. Tech.
Biological Assay (AR)
IC50
<1000±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:
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:
BDBM528747
Synonyms:
US11198681, Compound I-71
Type:
Small organic molecule
Emp. Form.:
C27H32N8O2
Mol. Mass.:
500.5954
SMILES:
COc1cc(cc2nc(-c3cnc(-c4cnn(C)c4)n3CC3CC3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:27:29:32.33:35|
Structure:
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