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Target
NACHT, LRR and PYD domains-containing protein 3
Ligand
BDBM50155926
Substrate
n/a
Meas. Tech.
ChEMBL_2250050 (CHEMBL5164260)
IC50
0.390000±n/a nM
Citation
 Narros-Fernández, P; Chioua, M; Petcu, SA; Diez-Iriepa, D; Cerrada-Gálvez, L; Decouty-Pérez, C; Palomino-Antolín, A; Ramos, E; Farré-Alins, V; López-Rodríguez, AB; Romero, A; Marco-Contelles, J; Egea, J Synthesis and Pharmacological Evaluation of New  J Med Chem 65:6250-6260 (2022) [PubMed] 
Target
Name:
NACHT, LRR and PYD domains-containing protein 3
Synonyms:
Cias1 | Cold autoinflammatory syndrome 1 protein homolog | Cryopyrin | Mast cell maturation-associated-inducible protein 1 | NACHT, LRR and PYD domains-containing protein 3 | PYRIN-containing APAF1-like protein 1 | NLRP3_MOUSE | Nlrp3 | Cias1 | Mmig1 | Nalp3 | Pypaf1
Type:
PROTEIN
Mol. Mass.:
118281.75
Organism:
Mouse
Description:
ChEMBL_116758
Residue:
1033
Sequence:
MTSVRCKLAQYLEDLEDVDLKKFKMHLEDYPPEKGCIPVPRGQMEKADHLDLATLMIDFNGEEKAWAMAVWIFAAINRRDLWEKAKKDQPEWNDTCTSHSSMVCQEDSLEEEWMGLLGYLSRISICKKKKDYCKMYRRHVRSRFYSIKDRNARLGESVDLNSRYTQLQLVKEHPSKQEREHELLTIGRTKMRDSPMSSLKLELLFEPEDGHSEPVHTVVFQGAAGIGKTILARKIMLDWALGKLFKDKFDYLFFIHCREVSLRTPRSLADLIVSCWPDPNPPVCKILRKPSRILFLMDGFDELQGAFDEHIGEVCTDWQKAVRGDILLSSLIRKKLLPKASLLITTRPVALEKLQHLLDHPRHVEILGFSEAKRKEYFFKYFSNELQAREAFRLIQENEVLFTMCFIPLVCWIVCTGLKQQMETGKSLAQTSKTTTAVYVFFLSSLLQSRGGIEEHLFSDYLQGLCSLAADGIWNQKILFEECDLRKHGLQKTDVSAFLRMNVFQKEVDCERFYSFSHMTFQEFFAAMYYLLEEEAEGETVRKGPGGCSDLLNRDVKVLLENYGKFEKGYLIFVVRFLFGLVNQERTSYLEKKLSCKISQQVRLELLKWIEVKAKAKKLQWQPSQLELFYCLYEMQEEDFVQSAMDHFPKIEINLSTRMDHVVSSFCIKNCHRVKTLSLGFFHNSPKEEEEERRGGRPLDQVQCVFPDTHVACSSRLVNCCLTSSFCRGLFSSLSTNRSLTELDLSDNTLGDPGMRVLCEALQHPGCNIQRLWLGRCGLSHQCCFDISSVLSSSQKLVELDLSDNALGDFGIRLLCVGLKHLLCNLQKLWLVSCCLTSACCQDLALVLSSNHSLTRLYIGENALGDSGVQVLCEKMKDPQCNLQKLGLVNSGLTSICCSALTSVLKTNQNFTHLYLRSNALGDTGLRLLCEGLLHPDCKLQMLELDNCSLTSHSCWNLSTILTHNHSLRKLNLGNNDLGDLCVVTLCEVLKQQGCLLQSLQLGEMYLNRETKRALEALQEEKPELTIVFEISW
  
Inhibitor
Name:
BDBM50155926
Synonyms:
CHEMBL3183703
Type:
Small organic molecule
Emp. Form.:
C20H24N2O5S
Mol. Mass.:
404.14
SMILES:
CC(C)(c1cc(oc1)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)O
Structure:
Search PDB for entries with ligand similarity: