Reaction Details |
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Target | Protein-arginine deiminase type-3 |
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Ligand | BDBM50355656 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_776880 (CHEMBL1914014) |
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IC50 | 34000±n/a nM |
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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 Chem54:6919-35 (2011) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Protein-arginine deiminase type-3 |
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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: | MSLQRIVRVSLEHPTSAVCVAGVETLVDIYGSVPEGTEMFEVYGTPGVDIYISPNMERGR
ERADTRRWRFDATLEIIVVMNSPSNDLNDSHVQISYHSSHEPLPLAYAVLYLTCVDISLD
CDLNCEGRQDRNFVDKRQWVWGPSGYGGILLVNCDRDDPSCDVQDNCDQHVHCLQDLEDM
SVMVLRTQGPAALFDDHKLVLHTSSYDAKRAQVFHICGPEDVCEAYRHVLGQDKVSYEVP
RLHGDEERFFVEGLSFPDAGFTGLISFHVTLLDDSNEDFSASPIFTDTVVFRVAPWIMTP
STLPPLEVYVCRVRNNTCFVDAVAELARKAGCKLTICPQAENRNDRWIQDEMELGYVQAP
HKTLPVVFDSPRNGELQDFPYKRILGPDFGYVTREPRDRSVSGLDSFGNLEVSPPVVANG
KEYPLGRILIGGNLPGSSGRRVTQVVRDFLHAQKVQPPVELFVDWLAVGHVDEFLSFVPA
PDGKGFRMLLASPGACFKLFQEKQKCGHGRALLFQGVVDDEQVKTISINQVLSNKDLINY
NKFVQSCIDWNREVLKRELGLAECDIIDIPQLFKTERKKATAFFPDLVNMLVLGKHLGIP
KPFGPIINGCCCLEEKVRSLLEPLGLHCTFIDDFTPYHMLHGEVHCGTNVCRKPFSFKWW
NMVP
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BDBM50355656 |
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n/a |
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Name | BDBM50355656 |
Synonyms: | CHEMBL1910970 |
Type | Small organic molecule |
Emp. Form. | C15H19FN4O4 |
Mol. Mass. | 338.3342 |
SMILES | NC(CF)=NCCC[C@H](NC(=O)c1ccccc1C(O)=O)C(N)=O |r,w:4.4| |
Structure |
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