Reaction Details |
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Target | Protein-arginine deiminase type-1 |
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Ligand | BDBM50248829 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1679372 (CHEMBL4029649) |
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Ki | 384000±n/a nM |
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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 Chem25:2643-2656 (2017) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Protein-arginine deiminase type-1 |
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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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BDBM50248829 |
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n/a |
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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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