Reaction Details |
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Target | Protein-arginine deiminase type-2 |
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Ligand | BDBM50246193 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1676559 (CHEMBL4026702) |
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Ki | 282000±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-2 |
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Name: | Protein-arginine deiminase type-2 |
Synonyms: | 3.5.3.15 | PADI2_MOUSE | Pad2 | Padi2 | Pdi | Pdi2 | Peptidylarginine deiminase II | Protein-arginine deiminase type II | Protein-arginine deiminase type-2 |
Type: | PROTEIN |
Mol. Mass.: | 76237.59 |
Organism: | Mus musculus |
Description: | ChEMBL_105600 |
Residue: | 673 |
Sequence: | MQPPIRENMLRERTVRLQYGSRVEAVYVLGTQLWTDVYSAAPAGAKTFSLKHSEGVKVEV
VRDGEAEEVVTNGKQRWALSPSSTLRLSMAQASTEASSDKVTVNYYEEEGSAPIDQAGLF
LTAIEISLDVDADRDGEVEKNNPKKASWTWGPEGQGAILLVNCDRDTPWLPKEDCSDEKV
YSKQDLQDMSQMILRTKGPDRLPAGYEIVLYISMSDSDKVGVFYVENPFFGQRYIHILGR
QKLYHVVKYTGGSAELLFFVEGLCFPDESFSGLVSIHVSLLEYMAEGIPLTPIFTDTVMF
RIAPWIMTPNILPPVSVFVCCMKDNYLFLKEVKNLVEKTNCELKVCFQYMNRGDRWIQDE
IEFGYIEAPHKGFPVVLDSPRDGNLKDFPIKQLLGPDFGYVTREPLFETVTSLDSFGNLE
VSPPVTVNGKEYPLGRILIGSSFPLSGGRRMTKVVRDFLQAQQVQAPVELYSDWLTVGHV
DEFMTFIPIPGKKEFRLLMASTSACYQLFREKQKAGHGEAVMFKGLGGMSSKRITINKIL
SNESLTQENQYFQRCLDWNRDILKRELALTEKDIIDLPALFKMDENHQARAFFPNMVNMI
VLDKDLGIPKPFGPQVEEECCLETHVRGLLEPLGLACTFIDDISAYHKFLGEVHCGTNVR
RKPFTFKWWHMVP
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BDBM50246193 |
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n/a |
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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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