Reaction Details |
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Target | Protein-arginine deiminase type-4 |
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Ligand | BDBM646236 |
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Substrate/Competitor | n/a |
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Meas. Tech. | In Vitro PAD4 BAEE Biochemical Assay |
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IC50 | 48.1±n/a nM |
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Citation | Byun, DH; Cai, ZR; Canales, EY; Debien, LP; Hansen, TR; Huang, R; Jansa, P; Lee, RA; Loyer-Drew, JA; McFadden, R; Mitchell, ML; Pyun, H; Saito, RD; Sangi, MS; Schrier, AJ; Shatskikh, ME; Taylor, JG; Van Veldhuizen, JJ; Xu, L Inhibitors of peptidylarginine deiminases US Patent US11878965 Publication Date 1/23/2024 |
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More Info.: | Get all data from this article, Assay Method |
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Protein-arginine deiminase type-4 |
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Name: | Protein-arginine deiminase type-4 |
Synonyms: | PAD4 | PADI4 | PADI4_HUMAN | PADI5 | PDI5 |
Type: | Enzyme Catalytic Domain |
Mol. Mass.: | 74078.90 |
Organism: | Homo sapiens (Human) |
Description: | gi_216548487 |
Residue: | 663 |
Sequence: | MAQGTLIRVTPEQPTHAVCVLGTLTQLDICSSAPEDCTSFSINASPGVVVDIAHGPPAKK
KSTGSSTWPLDPGVEVTLTMKVASGSTGDQKVQISYYGPKTPPVKALLYLTGVEISLCAD
ITRTGKVKPTRAVKDQRTWTWGPCGQGAILLVNCDRDNLESSAMDCEDDEVLDSEDLQDM
SLMTLSTKTPKDFFTNHTLVLHVARSEMDKVRVFQATRGKLSSKCSVVLGPKWPSHYLMV
PGGKHNMDFYVEALAFPDTDFPGLITLTISLLDTSNLELPEAVVFQDSVVFRVAPWIMTP
NTQPPQEVYACSIFENEDFLKSVTTLAMKAKCKLTICPEEENMDDQWMQDEMEIGYIQAP
HKTLPVVFDSPRNRGLKEFPIKRVMGPDFGYVTRGPQTGGISGLDSFGNLEVSPPVTVRG
KEYPLGRILFGDSCYPSNDSRQMHQALQDFLSAQQVQAPVKLYSDWLSVGHVDEFLSFVP
APDRKGFRLLLASPRSCYKLFQEQQNEGHGEALLFEGIKKKKQQKIKNILSNKTLREHNS
FVERCIDWNRELLKRELGLAESDIIDIPQLFKLKEFSKAEAFFPNMVNMLVLGKHLGIPK
PFGPVINGRCCLEEKVCSLLEPLGLQCTFINDFFTYHIRHGEVHCGTNVRRKPFSFKWWN
MVP
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BDBM646236 |
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n/a |
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Name | BDBM646236 |
Synonyms: | N-((R)-1-(2-(5-((1S,4R,5R)-4- amino-2-azabicycIo[3.2.1]octane-2- carbonyl)-7-methoxy-1-methyl-1H- benzo[d]imidazol-2-yl)-1- (cyclopropylmethyl)-1H-pyrrolo[2,3- b]pyridin-6-yl)ethyl)-1- (difluoromethyl)-1H-pyrazole-4- carboxamide | US11878965, Example 224 |
Type | Small organic molecule |
Emp. Form. | C35H39F2N9O3 |
Mol. Mass. | 671.7395 |
SMILES | COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3cnn(c3)C(F)F)n(C)c12)C(=O)N1C[C@H](N)[C@@H]2CC[C@H]1C2 |r| |
Structure |
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