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Target
Protein-arginine deiminase type-1
Ligand
BDBM50248829
Substrate
n/a
Meas. Tech.
ChEMBL_1679372 (CHEMBL4029649)
Ki
384000±n/a nM
Citation
 Sarswat, A; Wasilewski, E; Chakka, SK; Bello, AM; Caprariello, AV; Muthuramu, CM; Stys, PK; Dunn, SE; Kotra, LP Inhibitors of protein arginine deiminases and their efficacy in animal models of multiple sclerosis. Bioorg Med Chem 25:2643-2656 (2017) [PubMed]  Article 
Target
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:
MAPKRVVQLSLKMPTHAVCVVGVEAHVDIHSDVPKGANSFRVSGSSGVEVFMVYNRTRVKEPIGKARWPLDTDADMVVSVGTASKELKDFKVRVSYFGEQEDQALGRSVLYLTGVDISLEVDTGRTGKVKRSQGDKKTWRWGPEGYGAILLVNCDRDNHRSAEPDLTHSWLMSLADLQDMSPMLLSCNGPDKLFDSHKLVLNVPFSDSKRVRVFCARGGNSLSDYKQVLGPQCLSYEVERQPGEQEIKFYVEGLTFPDADFLGLVSLSVSLVDPGTLPEVTLFTDTVGFRMAPWIMTPNTQPPEELYVCRVMDTHGSNEKFLEDMSYLTLKANCKLTICPQVENRNDRWIQDEMEFGYIEAPHKSFPVVFDSPRNRGLKDFPYKRILGPDFGYVTREIPLPGPSSLDSFGNLDVSPPVTVGGTEYPLGRILIGSSFPKSGGRQMARAVRNFLKAQQVQAPVELYSDWLSVGHVDEFLTFVPTSDQKGFRLLLASPSACLKLFQEKKEEGYGEAAQFDGLKHQAKRSINEMLADRHLQRDNLHAQKCIDWNRNVLKRELGLAESDIVDIPQLFFLKNFYAEAFFPDMVNMVVLGKYLGIPKPYGPIINGRCCLEEKVQSLLEPLGLHCIFIDDYLSYHELQGEIHCGTNVRRKPFPFKWWNMVP
  
Inhibitor
Name:
BDBM50248829
Synonyms:
CHEMBL4084229
Type:
Small organic molecule
Emp. Form.:
C8H12N6O2
Mol. Mass.:
224.2199
SMILES:
CC1(C)NC(=O)N(CCc2nnn[nH]2)C1=O
Structure:
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