Reaction Details
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NACHT, LRR and PYD domains-containing protein 3
Ligand
BDBM50607512
Substrate
n/a
Meas. Tech.
ChEMBL_2262795 (CHEMBL5217806)
IC50
12±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] More Info.:
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:
BDBM50607512
Synonyms:
CHEMBL5218811
Type:
Small organic molecule
Emp. Form.:
C23H29N5O5S
Mol. Mass.:
487.572
SMILES:
COC1CN(C1)[C@@H]1COc2c(cnn2C1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 |r|
Structure:
