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Target
Protein-arginine deiminase type-3
Ligand
BDBM50535206
Substrate
n/a
Meas. Tech.
ChEMBL_1929981 (CHEMBL4433157)
IC50
5800±n/a nM
Citation
 Jamali, H; Khan, HA; Tjin, CC; Ellman, JA Cellular Activity of New Small Molecule Protein Arginine Deiminase 3 (PAD3) Inhibitors. ACS Med Chem Lett 7:847-51 (2016) [PubMed]  Article 
Target
Name:
Protein-arginine deiminase type-3
Synonyms:
PAD3 | PADI3 | PADI3_HUMAN | PDI3 | Peptidylarginine deiminase III | Protein-arginine deiminase type III
Type:
PROTEIN
Mol. Mass.:
74727.86
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1290378
Residue:
664
Sequence:
MSLQRIVRVSLEHPTSAVCVAGVETLVDIYGSVPEGTEMFEVYGTPGVDIYISPNMERGRERADTRRWRFDATLEIIVVMNSPSNDLNDSHVQISYHSSHEPLPLAYAVLYLTCVDISLDCDLNCEGRQDRNFVDKRQWVWGPSGYGGILLVNCDRDDPSCDVQDNCDQHVHCLQDLEDMSVMVLRTQGPAALFDDHKLVLHTSSYDAKRAQVFHICGPEDVCEAYRHVLGQDKVSYEVPRLHGDEERFFVEGLSFPDAGFTGLISFHVTLLDDSNEDFSASPIFTDTVVFRVAPWIMTPSTLPPLEVYVCRVRNNTCFVDAVAELARKAGCKLTICPQAENRNDRWIQDEMELGYVQAPHKTLPVVFDSPRNGELQDFPYKRILGPDFGYVTREPRDRSVSGLDSFGNLEVSPPVVANGKEYPLGRILIGGNLPGSSGRRVTQVVRDFLHAQKVQPPVELFVDWLAVGHVDEFLSFVPAPDGKGFRMLLASPGACFKLFQEKQKCGHGRALLFQGVVDDEQVKTISINQVLSNKDLINYNKFVQSCIDWNREVLKRELGLAECDIIDIPQLFKTERKKATAFFPDLVNMLVLGKHLGIPKPFGPIINGCCCLEEKVRSLLEPLGLHCTFIDDFTPYHMLHGEVHCGTNVCRKPFSFKWWNMVP
  
Inhibitor
Name:
BDBM50535206
Synonyms:
CHEMBL4464539
Type:
Small organic molecule
Emp. Form.:
C19H22ClN3O
Mol. Mass.:
343.85
SMILES:
ClCC(=N)NCCCC(=O)NCc1cccc(c1)-c1ccccc1
Structure:
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