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Target
Protein-arginine deiminase type-1
Ligand
BDBM50246193
Substrate
n/a
Meas. Tech.
ChEMBL_1676558 (CHEMBL4026701)
Ki
1086000±n/a nM
Citation
 Tejeda, EJC; Bello, AM; Wasilewski, E; Koebel, A; Dunn, S; Kotra, LP Noncovalent Protein Arginine Deiminase (PAD) Inhibitors Are Efficacious in Animal Models of Multiple Sclerosis. J Med Chem 60:8876-8887 (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:
BDBM50246193
Synonyms:
CHEMBL4061099
Type:
Small organic molecule
Emp. Form.:
C18H19N5O3
Mol. Mass.:
353.3752
SMILES:
O=C(NCc1ccccc1)[C@H](CCn1ccnn1)NC(=O)c1ccco1 |r|
Structure:
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