Reaction Details |
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Target | Protein-arginine deiminase type-1 |
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Ligand | BDBM454169 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1676558 (CHEMBL4026701) |
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Ki | 155000±n/a nM |
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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 Chem60:8876-8887 (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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BDBM454169 |
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n/a |
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Name | BDBM454169 |
Synonyms: | BDBM50246180 | US10716791, Code KP-302 |
Type | Small organic molecule |
Emp. Form. | C20H23N5O2 |
Mol. Mass. | 365.4289 |
SMILES | Cn1cccc1C(=O)N[C@@H](CCn1ccnc1)C(=O)NCc1ccccc1 |r| |
Structure |
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