Reaction Details Report a problem with these data
Target
Protein-arginine deiminase type-2
Ligand
BDBM50204601
Substrate
n/a
Meas. Tech.
ChEMBL_1627703 (CHEMBL3870224)
IC50
<79433±n/a nM
Citation
 Abdel-Magid, AF Great Therapeutic Potential of Peptidylarginine Deiminase 4 (PAD4) Inhibitors: Treatment of Rheumatoid Arthritis, Epigenetic Tools, Regulation of Pluripotency in Stem Cells, and More. ACS Med Chem Lett 8:19-21 (2017) [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:
BDBM50204601
Synonyms:
CHEMBL3891031
Type:
Small organic molecule
Emp. Form.:
C25H26F3N5O3
Mol. Mass.:
501.5008
SMILES:
COc1cc(cc2nc(-c3cc4ccccc4n3CC(F)(F)F)n(C)c12)C(=O)N1CC[C@@H](O)[C@@H](N)C1 |r|
Structure:
Search PDB for entries with ligand similarity: