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Target
NACHT, LRR and PYD domains-containing protein 3
Ligand
BDBM50615087
Substrate
n/a
Meas. Tech.
ChEMBL_2299660
IC50
<1.000000±n/a nM
Citation
 Sabnis, RW 1,2,4-Triazine Derivatives as NLRP3 Inhibitors for Treating Diseases. ACS Med Chem Lett 14:547-548 (2023) [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:
BDBM50615087
Synonyms:
CHEMBL5268317
Type:
Small organic molecule
Emp. Form.:
C17H22FN5O
Mol. Mass.:
331.40
SMILES:
CN1CCC[C@H](C1)Nc1nnc(c(C)n1)-c1c(O)cc(C)cc1F |r,wD:5.7,(1.33,-5,;2.66,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.92,;2.66,-2.69,;4,-.38,;2.66,.39,;1.34,-.38,;-0,.38,;-0,1.92,;1.33,2.69,;1.33,4.23,;2.66,1.93,;-1.33,2.69,;-2.66,1.93,;-2.66,.39,;-4,2.69,;-4,4.23,;-5.33,5,;-2.66,5,;-1.33,4.23,;-0,5,)|
Structure:
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