Reaction Details Report a problem with these data
Target
Protein-arginine deiminase type-4
Ligand
BDBM584177
Substrate
n/a
Meas. Tech.
Rapid-Fire Mass Spectrum (RFMS) Assay
IC50
6.00±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:
BDBM584177
Synonyms:
US11524959, Compound 1069.
Type:
Small organic molecule
Emp. Form.:
C33H38N6O4S
Mol. Mass.:
614.758
SMILES:
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)N3CC4(CCS4(=O)=O)C3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:36.37:39.40|
Structure:
Search PDB for entries with ligand similarity: