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Target
NACHT, LRR and PYD domains-containing protein 3
Ligand
BDBM50647995
Substrate
n/a
Meas. Tech.
ChEMBL_2482910
IC50
15±n/a nM
Citation
 Fu, Z; Duan, Y; Pei, H; Zou, Y; Tang, M; Chen, Y; Yang, T; Ma, Z; Yan, W; Su, K; Cai, X; Guo, T; Teng, Y; Jia, T; Chen, L Discovery of Potent, Specific, and Orally Available NLRP3 Inflammasome Inhibitors Based on Pyridazine Scaffolds for the Treatment of Septic Shock and Peritonitis. J Med Chem 67:15711-15737[PubMed] 
Target
Name:
NACHT, LRR and PYD domains-containing protein 3
Synonyms:
Cias1 | Cold autoinflammatory syndrome 1 protein homolog | Cryopyrin | Mast cell maturation-associated-inducible protein 1 | NACHT, LRR and PYD domains-containing protein 3 | PYRIN-containing APAF1-like protein 1 | NLRP3_MOUSE | Nlrp3 | Cias1 | Mmig1 | Nalp3 | Pypaf1
Type:
PROTEIN
Mol. Mass.:
118281.75
Organism:
Mouse
Description:
ChEMBL_116758
Residue:
1033
Sequence:
MTSVRCKLAQYLEDLEDVDLKKFKMHLEDYPPEKGCIPVPRGQMEKADHLDLATLMIDFNGEEKAWAMAVWIFAAINRRDLWEKAKKDQPEWNDTCTSHSSMVCQEDSLEEEWMGLLGYLSRISICKKKKDYCKMYRRHVRSRFYSIKDRNARLGESVDLNSRYTQLQLVKEHPSKQEREHELLTIGRTKMRDSPMSSLKLELLFEPEDGHSEPVHTVVFQGAAGIGKTILARKIMLDWALGKLFKDKFDYLFFIHCREVSLRTPRSLADLIVSCWPDPNPPVCKILRKPSRILFLMDGFDELQGAFDEHIGEVCTDWQKAVRGDILLSSLIRKKLLPKASLLITTRPVALEKLQHLLDHPRHVEILGFSEAKRKEYFFKYFSNELQAREAFRLIQENEVLFTMCFIPLVCWIVCTGLKQQMETGKSLAQTSKTTTAVYVFFLSSLLQSRGGIEEHLFSDYLQGLCSLAADGIWNQKILFEECDLRKHGLQKTDVSAFLRMNVFQKEVDCERFYSFSHMTFQEFFAAMYYLLEEEAEGETVRKGPGGCSDLLNRDVKVLLENYGKFEKGYLIFVVRFLFGLVNQERTSYLEKKLSCKISQQVRLELLKWIEVKAKAKKLQWQPSQLELFYCLYEMQEEDFVQSAMDHFPKIEINLSTRMDHVVSSFCIKNCHRVKTLSLGFFHNSPKEEEEERRGGRPLDQVQCVFPDTHVACSSRLVNCCLTSSFCRGLFSSLSTNRSLTELDLSDNTLGDPGMRVLCEALQHPGCNIQRLWLGRCGLSHQCCFDISSVLSSSQKLVELDLSDNALGDFGIRLLCVGLKHLLCNLQKLWLVSCCLTSACCQDLALVLSSNHSLTRLYIGENALGDSGVQVLCEKMKDPQCNLQKLGLVNSGLTSICCSALTSVLKTNQNFTHLYLRSNALGDTGLRLLCEGLLHPDCKLQMLELDNCSLTSHSCWNLSTILTHNHSLRKLNLGNNDLGDLCVVTLCEVLKQQGCLLQSLQLGEMYLNRETKRALEALQEEKPELTIVFEISW
  
Inhibitor
Name:
BDBM50647995
Synonyms:
CHEMBL5597392
Type:
Small organic molecule
Emp. Form.:
C25H30N4O3
Mol. Mass.:
434.54
SMILES:
OCCN1CCC[C@@H](Nc2nnc(-c3ccc4occc4c3O)c3c2C2CCC3CC2)C1
Structure:
Search PDB for entries with ligand similarity: