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Target
Protein-arginine deiminase type-4
Ligand
BDBM583578
Substrate
n/a
Meas. Tech.
Rapid-Fire Mass Spectrum (RFMS) Assay
IC50
12.0±n/a nM
Citation
 Srivastava, AS; Cherney, RJ; Ngu, K Indole and azaindole inhibitors of pad enzymes US Patent  US11524959 Publication Date 12/13/2022 
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:
BDBM583578
Synonyms:
US11524959, Compound 470.
Type:
Small organic molecule
Emp. Form.:
C34H32FN7O2
Mol. Mass.:
589.662
SMILES:
Cn1c(nc2cc(cc(F)c12)C(=O)N1CC2CCC1[C@@H]2N)-c1cc2ccc(nc2n1CC1CC1)-c1ccc2CNC(=O)c2c1 |TLB:20:19:13.14:16.17|
Structure:
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