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Target
NACHT, LRR and PYD domains-containing protein 3
Ligand
BDBM50155926
Substrate
n/a
Meas. Tech.
ChEMBL_2466688
IC50
9.8±n/a nM
Citation
 Zhao, M; Ye, N; Liu, L; Zhang, RJ; Li, N; Peng, J; Cai, XY; Jiang, XQ; Su, KY; Zhang, XL; Rao, QR; Liu, KJ; Deng, DX; Peng, AH; Tang, MH; Chen, LJ; Wu, WS; Ye, HY Novel Isoalantolactone-Based Derivatives as Potent NLRP3 Inflammasome Inhibitors: Design, Synthesis, and Biological Characterization. J Med Chem 67:7516-7538[PubMed] 
Target
Name:
NACHT, LRR and PYD domains-containing protein 3
Synonyms:
NLRP3_HUMAN | NLRP3 | C1orf7 | CIAS1 | NALP3 | PYPAF1 | NLRP3 protein
Type:
Enzyme Catalytic Domain
Mol. Mass.:
118173.88
Organism:
Human
Description:
Q96P20
Residue:
1036
Sequence:
MKMASTRCKLARYLEDLEDVDLKKFKMHLEDYPPQKGCIPLPRGQTEKADHVDLATLMIDFNGEEKAWAMAVWIFAAINRRDLYEKAKRDEPKWGSDNARVSNPTVICQEDSIEEEWMGLLEYLSRISICKMKKDYRKKYRKYVRSRFQCIEDRNARLGESVSLNKRYTRLRLIKEHRSQQEREQELLAIGKTKTCESPVSPIKMELLFDPDDEHSEPVHTVVFQGAAGIGKTILARKMMLDWASGTLYQDRFDYLFYIHCREVSLVTQRSLGDLIMSCCPDPNPPIHKIVRKPSRILFLMDGFDELQGAFDEHIGPLCTDWQKAERGDILLSSLIRKKLLPEASLLITTRPVALEKLQHLLDHPRHVEILGFSEAKRKEYFFKYFSDEAQARAAFSLIQENEVLFTMCFIPLVCWIVCTGLKQQMESGKSLAQTSKTTTAVYVFFLSSLLQPRGGSQEHGLCAHLWGLCSLAADGIWNQKILFEESDLRNHGLQKADVSAFLRMNLFQKEVDCEKFYSFIHMTFQEFFAAMYYLLEEEKEGRTNVPGSRLKLPSRDVTVLLENYGKFEKGYLIFVVRFLFGLVNQERTSYLEKKLSCKISQQIRLELLKWIEVKAKAKKLQIQPSQLELFYCLYEMQEEDFVQRAMDYFPKIEINLSTRMDHMVSSFCIENCHRVESLSLGFLHNMPKEEEEEEKEGRHLDMVQCVLPSSSHAACSHGLVNSHLTSSFCRGLFSVLSTSQSLTELDLSDNSLGDPGMRVLCETLQHPGCNIRRLWLGRCGLSHECCFDISLVLSSNQKLVELDLSDNALGDFGIRLLCVGLKHLLCNLKKLWLVSCCLTSACCQDLASVLSTSHSLTRLYVGENALGDSGVAILCEKAKNPQCNLQKLGLVNSGLTSVCCSALSSVLSTNQNLTHLYLRGNTLGDKGIKLLCEGLLHPDCKLQVLELDNCNLTSHCCWDLSTLLTSSQSLRKLSLGNNDLGDLGVMMFCEVLKQQSCLLQNLGLSEMYFNYETKSALETLQEEKPELTVVFEPSW
  
Inhibitor
Name:
BDBM50155926
Synonyms:
CHEMBL3183703
Type:
Small organic molecule
Emp. Form.:
C20H24N2O5S
Mol. Mass.:
404.14
SMILES:
CC(C)(c1cc(oc1)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)O
Structure:
Search PDB for entries with ligand similarity: