| Reaction Details |
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 | Report a problem with these data |
| Target | NACHT, LRR and PYD domains-containing protein 3 |
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| Ligand | BDBM50607509 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2262796 (CHEMBL5217807) |
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| IC50 | 400±n/a nM |
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| 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 Chem65:14721-14739 (2022) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| NACHT, LRR and PYD domains-containing protein 3 |
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| Name: | NACHT, LRR and PYD domains-containing protein 3 |
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| Synonyms: | C1orf7 | CIAS1 | NALP3 | NLRP3 | NLRP3 protein | NLRP3_HUMAN | PYPAF1 |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 118173.88 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q96P20 |
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| Residue: | 1036 |
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| Sequence: | MKMASTRCKLARYLEDLEDVDLKKFKMHLEDYPPQKGCIPLPRGQTEKADHVDLATLMID
FNGEEKAWAMAVWIFAAINRRDLYEKAKRDEPKWGSDNARVSNPTVICQEDSIEEEWMGL
LEYLSRISICKMKKDYRKKYRKYVRSRFQCIEDRNARLGESVSLNKRYTRLRLIKEHRSQ
QEREQELLAIGKTKTCESPVSPIKMELLFDPDDEHSEPVHTVVFQGAAGIGKTILARKMM
LDWASGTLYQDRFDYLFYIHCREVSLVTQRSLGDLIMSCCPDPNPPIHKIVRKPSRILFL
MDGFDELQGAFDEHIGPLCTDWQKAERGDILLSSLIRKKLLPEASLLITTRPVALEKLQH
LLDHPRHVEILGFSEAKRKEYFFKYFSDEAQARAAFSLIQENEVLFTMCFIPLVCWIVCT
GLKQQMESGKSLAQTSKTTTAVYVFFLSSLLQPRGGSQEHGLCAHLWGLCSLAADGIWNQ
KILFEESDLRNHGLQKADVSAFLRMNLFQKEVDCEKFYSFIHMTFQEFFAAMYYLLEEEK
EGRTNVPGSRLKLPSRDVTVLLENYGKFEKGYLIFVVRFLFGLVNQERTSYLEKKLSCKI
SQQIRLELLKWIEVKAKAKKLQIQPSQLELFYCLYEMQEEDFVQRAMDYFPKIEINLSTR
MDHMVSSFCIENCHRVESLSLGFLHNMPKEEEEEEKEGRHLDMVQCVLPSSSHAACSHGL
VNSHLTSSFCRGLFSVLSTSQSLTELDLSDNSLGDPGMRVLCETLQHPGCNIRRLWLGRC
GLSHECCFDISLVLSSNQKLVELDLSDNALGDFGIRLLCVGLKHLLCNLKKLWLVSCCLT
SACCQDLASVLSTSHSLTRLYVGENALGDSGVAILCEKAKNPQCNLQKLGLVNSGLTSVC
CSALSSVLSTNQNLTHLYLRGNTLGDKGIKLLCEGLLHPDCKLQVLELDNCNLTSHCCWD
LSTLLTSSQSLRKLSLGNNDLGDLGVMMFCEVLKQQSCLLQNLGLSEMYFNYETKSALET
LQEEKPELTVVFEPSW
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| BDBM50607509 |
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| n/a |
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| Name | BDBM50607509 |
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| Synonyms: | CHEMBL5219789 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H25N5O4S |
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| Mol. Mass. | 431.509 |
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| SMILES | CN[C@@H]1COc2c(cnn2C1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 |r| |
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| Structure | 
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