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Target
NACHT, LRR and PYD domains-containing protein 3
Ligand
BDBM50565845
Substrate
n/a
Meas. Tech.
ChEMBL_2094023 (CHEMBL4775286)
IC50
11720±n/a nM
Citation
 Dai, Z; Chen, XY; An, LY; Li, CC; Zhao, N; Yang, F; You, ST; Hou, CZ; Li, K; Jiang, C; You, QD; Di, B; Xu, LL Development of Novel Tetrahydroquinoline Inhibitors of NLRP3 Inflammasome for Potential Treatment of DSS-Induced Mouse Colitis. J Med Chem 64:871-889 (2021) [PubMed]  Article 
Target
Name:
NACHT, LRR and PYD domains-containing protein 3
Synonyms:
C1orf7 | CIAS1 | NALP3 | NLRP3 | NLRP3 protein | NLRP3_HUMAN | PYPAF1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
118173.88
Organism:
Homo sapiens (Human)
Description:
Q96P20
Residue:
1036
Sequence:
MKMASTRCKLARYLEDLEDVDLKKFKMHLEDYPPQKGCIPLPRGQTEKADHVDLATLMIDFNGEEKAWAMAVWIFAAINRRDLYEKAKRDEPKWGSDNARVSNPTVICQEDSIEEEWMGLLEYLSRISICKMKKDYRKKYRKYVRSRFQCIEDRNARLGESVSLNKRYTRLRLIKEHRSQQEREQELLAIGKTKTCESPVSPIKMELLFDPDDEHSEPVHTVVFQGAAGIGKTILARKMMLDWASGTLYQDRFDYLFYIHCREVSLVTQRSLGDLIMSCCPDPNPPIHKIVRKPSRILFLMDGFDELQGAFDEHIGPLCTDWQKAERGDILLSSLIRKKLLPEASLLITTRPVALEKLQHLLDHPRHVEILGFSEAKRKEYFFKYFSDEAQARAAFSLIQENEVLFTMCFIPLVCWIVCTGLKQQMESGKSLAQTSKTTTAVYVFFLSSLLQPRGGSQEHGLCAHLWGLCSLAADGIWNQKILFEESDLRNHGLQKADVSAFLRMNLFQKEVDCEKFYSFIHMTFQEFFAAMYYLLEEEKEGRTNVPGSRLKLPSRDVTVLLENYGKFEKGYLIFVVRFLFGLVNQERTSYLEKKLSCKISQQIRLELLKWIEVKAKAKKLQIQPSQLELFYCLYEMQEEDFVQRAMDYFPKIEINLSTRMDHMVSSFCIENCHRVESLSLGFLHNMPKEEEEEEKEGRHLDMVQCVLPSSSHAACSHGLVNSHLTSSFCRGLFSVLSTSQSLTELDLSDNSLGDPGMRVLCETLQHPGCNIRRLWLGRCGLSHECCFDISLVLSSNQKLVELDLSDNALGDFGIRLLCVGLKHLLCNLKKLWLVSCCLTSACCQDLASVLSTSHSLTRLYVGENALGDSGVAILCEKAKNPQCNLQKLGLVNSGLTSVCCSALSSVLSTNQNLTHLYLRGNTLGDKGIKLLCEGLLHPDCKLQVLELDNCNLTSHCCWDLSTLLTSSQSLRKLSLGNNDLGDLGVMMFCEVLKQQSCLLQNLGLSEMYFNYETKSALETLQEEKPELTVVFEPSW
  
Inhibitor
Name:
BDBM50565845
Synonyms:
CHEMBL4781934
Type:
Small organic molecule
Emp. Form.:
C30H28N4O10S3
Mol. Mass.:
700.759
SMILES:
CS(=O)(=O)N1CCCc2ccc(cc12)N(S(=O)(=O)CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O
Structure:
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