Reaction Details Report a problem with these data
Target
NACHT, LRR and PYD domains-containing protein 3
Ligand
BDBM50140172
Substrate
n/a
Meas. Tech.
ChEMBL_2048179 (CHEMBL4702878)
IC50
24200±n/a nM
Citation
 Ma, X; Zhao, M; Tang, MH; Xue, LL; Zhang, RJ; Liu, L; Ni, HF; Cai, XY; Kuang, S; Hong, F; Wang, L; Chen, K; Tang, H; Li, Y; Peng, AH; Yang, JH; Pei, HY; Ye, HY; Chen, LJ Flavonoids with Inhibitory Effects on NLRP3 Inflammasome Activation from  J Nat Prod 83:2950-2959 (2020) [PubMed]  Article 
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:
BDBM50140172
Synonyms:
CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Table 1, Compound 21: curcumin
Type:
Small organic molecule
Emp. Form.:
C21H20O6
Mol. Mass.:
368.3799
SMILES:
COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Structure:
Search PDB for entries with ligand similarity: