Reaction Details 
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NACHT, LRR and PYD domains-containing protein 3
Ligand
BDBM50607509
Substrate
n/a
Meas. Tech.
ChEMBL_2262825 (CHEMBL5217836)
IC50
63±n/a nM
Citation
McBride, C; Trzoss, L; Povero, D; Lazic, M; Ambrus-Aikelin, G; Santini, A; Pranadinata, R; Bain, G; Stansfield, R; Stafford, JA; Veal, J; Takahashi, R; Ly, J; Chen, S; Liu, L; Nespi, M; Blake, R; Katewa, A; Kleinheinz, T; Sujatha-Bhaskar, S; Ramamoorthi, N; Sims, J; McKenzie, B; Chen, M; Ultsch, M; Johnson, M; Murray, J; Ciferri, C; Staben, ST; Townsend, MJ; Stivala, CE Overcoming Preclinical Safety Obstacles to Discover ( J Med Chem 65:14721-14739 (2022) [PubMed] ArticleMore Info.:
Target
Name:
NACHT, LRR and PYD domains-containing protein 3
Synonyms:
Cias1 | Cias1 | Cold autoinflammatory syndrome 1 protein homolog | Cryopyrin | Mast cell maturation-associated-inducible protein 1 | Mmig1 | NACHT, LRR and PYD domains-containing protein 3 | NLRP3_MOUSE | Nalp3 | Nlrp3 | PYRIN-containing APAF1-like protein 1 | Pypaf1
Type:
PROTEIN
Mol. Mass.:
118281.75
Organism:
Mus musculus
Description:
ChEMBL_116758
Residue:
1033
Sequence:
MTSVRCKLAQYLEDLEDVDLKKFKMHLEDYPPEKGCIPVPRGQMEKADHLDLATLMIDFNGEEKAWAMAVWIFAAINRRDLWEKAKKDQPEWNDTCTSHSSMVCQEDSLEEEWMGLLGYLSRISICKKKKDYCKMYRRHVRSRFYSIKDRNARLGESVDLNSRYTQLQLVKEHPSKQEREHELLTIGRTKMRDSPMSSLKLELLFEPEDGHSEPVHTVVFQGAAGIGKTILARKIMLDWALGKLFKDKFDYLFFIHCREVSLRTPRSLADLIVSCWPDPNPPVCKILRKPSRILFLMDGFDELQGAFDEHIGEVCTDWQKAVRGDILLSSLIRKKLLPKASLLITTRPVALEKLQHLLDHPRHVEILGFSEAKRKEYFFKYFSNELQAREAFRLIQENEVLFTMCFIPLVCWIVCTGLKQQMETGKSLAQTSKTTTAVYVFFLSSLLQSRGGIEEHLFSDYLQGLCSLAADGIWNQKILFEECDLRKHGLQKTDVSAFLRMNVFQKEVDCERFYSFSHMTFQEFFAAMYYLLEEEAEGETVRKGPGGCSDLLNRDVKVLLENYGKFEKGYLIFVVRFLFGLVNQERTSYLEKKLSCKISQQVRLELLKWIEVKAKAKKLQWQPSQLELFYCLYEMQEEDFVQSAMDHFPKIEINLSTRMDHVVSSFCIKNCHRVKTLSLGFFHNSPKEEEEERRGGRPLDQVQCVFPDTHVACSSRLVNCCLTSSFCRGLFSSLSTNRSLTELDLSDNTLGDPGMRVLCEALQHPGCNIQRLWLGRCGLSHQCCFDISSVLSSSQKLVELDLSDNALGDFGIRLLCVGLKHLLCNLQKLWLVSCCLTSACCQDLALVLSSNHSLTRLYIGENALGDSGVQVLCEKMKDPQCNLQKLGLVNSGLTSICCSALTSVLKTNQNFTHLYLRSNALGDTGLRLLCEGLLHPDCKLQMLELDNCSLTSHSCWNLSTILTHNHSLRKLNLGNNDLGDLCVVTLCEVLKQQGCLLQSLQLGEMYLNRETKRALEALQEEKPELTIVFEISW
Inhibitor
Name:
BDBM50607509
Synonyms:
CHEMBL5219789
Type:
Small organic molecule
Emp. Form.:
C20H25N5O4S
Mol. Mass.:
431.509
SMILES:
CN[C@@H]1COc2c(cnn2C1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 |r|
Structure:
