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Target
Protein-arginine deiminase type-2
Ligand
BDBM454164
Substrate
n/a
Meas. Tech.
ChEMBL_1676559 (CHEMBL4026702)
Ki
1001000±n/a nM
Citation
 Tejeda, EJC; Bello, AM; Wasilewski, E; Koebel, A; Dunn, S; Kotra, LP Noncovalent Protein Arginine Deiminase (PAD) Inhibitors Are Efficacious in Animal Models of Multiple Sclerosis. J Med Chem 60:8876-8887 (2017) [PubMed]  Article 
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:
BDBM454164
Synonyms:
BDBM50246192 | US10716791, Code KP-288
Type:
Small organic molecule
Emp. Form.:
C17H21N5O3
Mol. Mass.:
343.3803
SMILES:
CC(C)NC(=O)[C@H](CCn1cnc(CC#N)c1)NC(=O)c1ccco1 |r|
Structure:
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