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Target
NACHT, LRR and PYD domains-containing protein 3
Ligand
BDBM612329
Substrate
n/a
Meas. Tech.
hTHP-1 assay
IC50
24±n/a nM
Citation
 Franchi, L; Ghosh, S; Glick, G; Katz, J; Opipari, Jr., AW; Roush, W; Seidel, HM; Shen, D; Venkatraman, S; Winkler, DG Compounds and compositions for treating conditions associated with NLRP activity US Patent  US11724992 Publication Date 8/15/2023 
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:
BDBM612329
Synonyms:
3-fluoro-N'-(8-fluoro-1,2,3,5,6,7- hexahydro-s-indacen-4- ylcarbamoyl)-5-(2-hydroxypropan-2- yl)thiophene-2-sulfonimidamide | BDBM612430 | BDBM612431 | US11724992, Example 30
Type:
Small organic molecule
Emp. Form.:
C20H23F2N3O3S2
Mol. Mass.:
455.542
SMILES:
CC(C)(O)c1cc(F)c(s1)S(N)(=O)=NC(=O)Nc1c2CCCc2c(F)c2CCCc12
Structure:
Search PDB for entries with ligand similarity: