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Target
NACHT, LRR and PYD domains-containing protein 3
Ligand
BDBM50598221
Substrate
n/a
Meas. Tech.
ChEMBL_2226553 (CHEMBL5140066)
IC50
8.0±n/a nM
Citation
 Xu, Y; Xu, Y; Blevins, H; Guo, C; Biby, S; Wang, XY; Wang, C; Zhang, S Development of sulfonamide-based NLRP3 inhibitors: Further modifications and optimization through structure-activity relationship studies. Eur J Med Chem 238:0 (2022) [PubMed] 
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:
BDBM50598221
Synonyms:
CHEMBL4288808
Type:
Small organic molecule
Emp. Form.:
C21H26N2O4S
Mol. Mass.:
402.507
SMILES:
CC(C)(C)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12
Structure:
Search PDB for entries with ligand similarity: