Reaction Details Report a problem with these data
Target
NACHT, LRR and PYD domains-containing protein 3
Ligand
BDBM76261
Substrate
n/a
Meas. Tech.
Dose Response confirmation of uHTS for the identification of inhibitors of NALP3 in yeast using a luminescent assay
IC50
7300±n/a nM
Citation
 PubChem, PC Dose Response confirmation of uHTS for the identification of inhibitors of NALP3 in yeast using a luminescent assay PubChem Bioassay (2010)[AID] 
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:
BDBM76261
Synonyms:
2-[[2-(4-caproylpiperazino)ethylamino]methylene]-5-(2-furyl)cyclohexane-1,3-quinone | 5-(2-furanyl)-2-[[2-[4-(1-oxohexyl)-1-piperazinyl]ethylamino]methylidene]cyclohexane-1,3-dione | 5-(2-furyl)-2-({[2-(4-hexanoylpiperazin-1-yl)ethyl]amino}methylene)cyclohexane-1,3-dione | 5-(furan-2-yl)-2-[[2-(4-hexanoylpiperazin-1-yl)ethylamino]methylidene]cyclohexane-1,3-dione | MLS000042979 | SMR000019406 | US11529321, Compound 58 | cid_3242364
Type:
Small organic molecule
Emp. Form.:
C23H33N3O4
Mol. Mass.:
415.5258
SMILES:
CCCCCC(=O)N1CCN(CCNC=C2C(=O)CC(CC2=O)c2ccco2)CC1 |(3.08,-11.51,;4.41,-10.74,;4.41,-9.2,;5.75,-8.43,;5.75,-6.89,;7.08,-6.12,;8.41,-6.89,;7.08,-4.58,;8.41,-3.81,;8.41,-2.27,;7.08,-1.5,;7.08,.04,;8.41,.81,;8.41,2.35,;9.75,3.12,;9.75,4.66,;8.41,5.43,;7.08,4.66,;8.41,6.97,;9.75,7.74,;11.08,6.97,;11.08,5.43,;12.42,4.66,;10.52,9.07,;9.89,10.48,;11.04,11.51,;12.37,10.74,;12.05,9.23,;5.75,-2.27,;5.75,-3.81,)|
Structure:
Search PDB for entries with ligand similarity: