Reaction Details Report a problem with these data
Target
Protein-arginine deiminase type-2
Ligand
BDBM454161
Substrate
n/a
Meas. Tech.
Inhibition Assay
Ki
19700±2000 nM
Citation
 Kotra, LP; Wasilewski, E Inhibitors of peptidyl arginine deiminase (PAD) enzymes and uses thereof US Patent  US10716791 Publication Date 7/21/2020 
Target
Name:
Protein-arginine deiminase type-2
Synonyms:
3.5.3.15 | PADI2_MOUSE | Pad2 | Padi2 | Pdi | Pdi2 | Peptidylarginine deiminase II | Protein-arginine deiminase type II | Protein-arginine deiminase type-2
Type:
PROTEIN
Mol. Mass.:
76237.59
Organism:
Mus musculus
Description:
ChEMBL_105600
Residue:
673
Sequence:
MQPPIRENMLRERTVRLQYGSRVEAVYVLGTQLWTDVYSAAPAGAKTFSLKHSEGVKVEVVRDGEAEEVVTNGKQRWALSPSSTLRLSMAQASTEASSDKVTVNYYEEEGSAPIDQAGLFLTAIEISLDVDADRDGEVEKNNPKKASWTWGPEGQGAILLVNCDRDTPWLPKEDCSDEKVYSKQDLQDMSQMILRTKGPDRLPAGYEIVLYISMSDSDKVGVFYVENPFFGQRYIHILGRQKLYHVVKYTGGSAELLFFVEGLCFPDESFSGLVSIHVSLLEYMAEGIPLTPIFTDTVMFRIAPWIMTPNILPPVSVFVCCMKDNYLFLKEVKNLVEKTNCELKVCFQYMNRGDRWIQDEIEFGYIEAPHKGFPVVLDSPRDGNLKDFPIKQLLGPDFGYVTREPLFETVTSLDSFGNLEVSPPVTVNGKEYPLGRILIGSSFPLSGGRRMTKVVRDFLQAQQVQAPVELYSDWLTVGHVDEFMTFIPIPGKKEFRLLMASTSACYQLFREKQKAGHGEAVMFKGLGGMSSKRITINKILSNESLTQENQYFQRCLDWNRDILKRELALTEKDIIDLPALFKMDENHQARAFFPNMVNMIVLDKDLGIPKPFGPQVEEECCLETHVRGLLEPLGLACTFIDDISAYHKFLGEVHCGTNVRRKPFTFKWWHMVP
  
Inhibitor
Name:
BDBM454161
Synonyms:
US10716791, Code KP-226
Type:
Small organic molecule
Emp. Form.:
C14H23N3O4S
Mol. Mass.:
329.415
SMILES:
S.COC(=O)[C@H](CCN1CCNCC1)NC(=O)c1ccco1 |r|
Structure:
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