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TargetProtein-arginine deiminase type-1
LigandBDBM50355656
Substrate/Competitorn/a
Meas. Tech.ChEMBL_776878
IC50 1400±n/a nM
Citation Causey CPJones JESlack JLKamei DJones LESubramanian VKnuckley BEbrahimi PChumanevich AALuo YHashimoto HSato MHofseth LJThompson 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
More Info.:Get all data from this article,  Assay Method
 
Protein-arginine deiminase type-1
Name:Protein-arginine deiminase type-1
Synonyms:Peptidylarginine deiminase I | Protein-arginine deiminase type I
Type:PROTEIN
Mol. Mass.:74664.17
Organism:Homo sapiens (Human)
Description:ChEMBL_1290380
Residue:663
Sequence:
MAPKRVVQLSLKMPTHAVCVVGVEAHVDIHSDVPKGANSFRVSGSSGVEVFMVYNRTRVK
EPIGKARWPLDTDADMVVSVGTASKELKDFKVRVSYFGEQEDQALGRSVLYLTGVDISLE
VDTGRTGKVKRSQGDKKTWRWGPEGYGAILLVNCDRDNHRSAEPDLTHSWLMSLADLQDM
SPMLLSCNGPDKLFDSHKLVLNVPFSDSKRVRVFCARGGNSLSDYKQVLGPQCLSYEVER
QPGEQEIKFYVEGLTFPDADFLGLVSLSVSLVDPGTLPEVTLFTDTVGFRMAPWIMTPNT
QPPEELYVCRVMDTHGSNEKFLEDMSYLTLKANCKLTICPQVENRNDRWIQDEMEFGYIE
APHKSFPVVFDSPRNRGLKDFPYKRILGPDFGYVTREIPLPGPSSLDSFGNLDVSPPVTV
GGTEYPLGRILIGSSFPKSGGRQMARAVRNFLKAQQVQAPVELYSDWLSVGHVDEFLTFV
PTSDQKGFRLLLASPSACLKLFQEKKEEGYGEAAQFDGLKHQAKRSINEMLADRHLQRDN
LHAQKCIDWNRNVLKRELGLAESDIVDIPQLFFLKNFYAEAFFPDMVNMVVLGKYLGIPK
PYGPIINGRCCLEEKVQSLLEPLGLHCIFIDDYLSYHELQGEIHCGTNVRRKPFPFKWWN
MVP
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50355656
n/a
NameBDBM50355656
Synonyms:CHEMBL1910970
TypeSmall organic molecule
Emp. Form.C15H19FN4O4
Mol. Mass.338.3342
SMILESNC(CF)=NCCC[C@H](NC(=O)c1ccccc1C(O)=O)C(N)=O |r,w:4.4|
Structure
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