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Target
Protein-arginine deiminase type-2
Ligand
BDBM50355658
Substrate
n/a
Meas. Tech.
ChEMBL_776879 (CHEMBL1914013)
IC50
51000±n/a nM
Citation
 Causey, CP; Jones, JE; Slack, JL; Kamei, D; Jones, LE; Subramanian, V; Knuckley, B; Ebrahimi, P; Chumanevich, AA; Luo, Y; Hashimoto, H; Sato, M; Hofseth, LJ; Thompson, PR The development of N-a-(2-carboxyl)benzoyl-N(5)-(2-fluoro-1-iminoethyl)-l-ornithine amide (o-F-amidine) and N-a-(2-carboxyl)benzoyl-N(5)-(2-chloro-1-iminoethyl)-l-ornithine amide (o-Cl-amidine) as second generation protein arginine deiminase (PAD) inhibitors. J Med Chem 54:6919-35 (2011) [PubMed]  Article 
Target
Name:
Protein-arginine deiminase type-2
Synonyms:
KIAA0994 | PAD-H19 | PAD2 | PADI2 | PADI2_HUMAN | PDI2 | Peptidylarginine deiminase II | Protein-arginine deiminase type II
Type:
PROTEIN
Mol. Mass.:
75552.49
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1290379
Residue:
665
Sequence:
MLRERTVRLQYGSRVEAVYVLGTYLWTDVYSAAPAGAQTFSLKHSEHVWVEVVRDGEAEEVATNGKQRWLLSPSTTLRVTMSQASTEASSDKVTVNYYDEEGSIPIDQAGLFLTAIEISLDVDADRDGVVEKNNPKKASWTWGPEGQGAILLVNCDRETPWLPKEDCRDEKVYSKEDLKDMSQMILRTKGPDRLPAGYEIVLYISMSDSDKVGVFYVENPFFGQRYIHILGRRKLYHVVKYTGGSAELLFFVEGLCFPDEGFSGLVSIHVSLLEYMAQDIPLTPIFTDTVIFRIAPWIMTPNILPPVSVFVCCMKDNYLFLKEVKNLVEKTNCELKVCFQYLNRGDRWIQDEIEFGYIEAPHKGFPVVLDSPRDGNLKDFPVKELLGPDFGYVTREPLFESVTSLDSFGNLEVSPPVTVNGKTYPLGRILIGSSFPLSGGRRMTKVVRDFLKAQQVQAPVELYSDWLTVGHVDEFMSFVPIPGTKKFLLLMASTSACYKLFREKQKDGHGEAIMFKGLGGMSSKRITINKILSNESLVQENLYFQRCLDWNRDILKKELGLTEQDIIDLPALFKMDEDHRARAFFPNMVNMIVLDKDLGIPKPFGPQVEEECCLEMHVRGLLEPLGLECTFIDDISAYHKFLGEVHCGTNVRRKPFTFKWWHMVP
  
Inhibitor
Name:
BDBM50355658
Synonyms:
CHEMBL1910973
Type:
Small organic molecule
Emp. Form.:
C14H19FN4O2
Mol. Mass.:
294.3247
SMILES:
NC(=O)[C@H](CCCN=C(N)CF)NC(=O)c1ccccc1 |r,w:7.6|
Structure:
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