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TargetProtein-arginine deiminase type-1
LigandBDBM50355657
Substrate/Competitorn/a
Meas. Tech.ChEMBL_776878 (CHEMBL1914012)
IC50 800±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 Chem54:6919-35 (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:PAD1 | PADI1 | PADI1_HUMAN | PDI1 | 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
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  Blast E-value cutoff:
BDBM50355657
n/a
NameBDBM50355657
Synonyms:CHEMBL1910972 | CHEMBL1962361
TypeSmall organic molecule
Emp. Form.C14H19ClN4O2
Mol. Mass.310.779
SMILESNC(=O)[C@H](CCCN=C(N)CCl)NC(=O)c1ccccc1 |r,w:7.6|
Structure
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