Reaction Details Report a problem with these data
Target
Nucleotide-binding oligomerization domain-containing protein 2
Ligand
BDBM31721
Substrate
n/a
Meas. Tech.
uHTS luminescence assay for the identification of compounds that inhibit NOD2 in MDP treated cells
IC50
11797±n/a nM
Citation
 PubChem, PC uHTS luminescence assay for the identification of compounds that inhibit NOD2 in MDP treated cells PubChem Bioassay (2010)[AID] 
Target
Name:
Nucleotide-binding oligomerization domain-containing protein 2
Synonyms:
CARD15 | Caspase recruitment domain-containing protein 15 | IBD1 | Inflammatory bowel disease protein 1 | NOD2 | NOD2_HUMAN | Nucleotide-binding oligomerization domain-containing protein 2 | nucleotide-binding oligomerization domain containing 2
Type:
PROTEIN
Mol. Mass.:
115287.18
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1454053
Residue:
1040
Sequence:
MGEEGGSASHDEEERASVLLGHSPGCEMCSQEAFQAQRSQLVELLVSGSLEGFESVLDWLLSWEVLSWEDYEGFHLLGQPLSHLARRLLDTVWNKGTWACQKLIAAAQEAQADSQSPKLHGCWDPHSLHPARDLQSHRPAIVRRLHSHVENMLDLAWERGFVSQYECDEIRLPIFTPSQRARRLLDLATVKANGLAAFLLQHVQELPVPLALPLEAATCKKYMAKLRTTVSAQSRFLSTYDGAETLCLEDIYTENVLEVWADVGMAGPPQKSPATLGLEELFSTPGHLNDDADTVLVVGEAGSGKSTLLQRLHLLWAAGQDFQEFLFVFPFSCRQLQCMAKPLSVRTLLFEHCCWPDVGQEDIFQLLLDHPDRVLLTFDGFDEFKFRFTDRERHCSPTDPTSVQTLLFNLLQGNLLKNARKVVTSRPAAVSAFLRKYIRTEFNLKGFSEQGIELYLRKRHHEPGVADRLIRLLQETSALHGLCHLPVFSWMVSKCHQELLLQEGGSPKTTTDMYLLILQHFLLHATPPDSASQGLGPSLLRGRLPTLLHLGRLALWGLGMCCYVFSAQQLQAAQVSPDDISLGFLVRAKGVVPGSTAPLEFLHITFQCFFAAFYLALSADVPPALLRHLFNCGRPGNSPMARLLPTMCIQASEGKDSSVAALLQKAEPHNLQITAAFLAGLLSREHWGLLAECQTSEKALLRRQACARWCLARSLRKHFHSIPPAAPGEAKSVHAMPGFIWLIRSLYEMQEERLARKAARGLNVGHLKLTFCSVGPTECAALAFVLQHLRRPVALQLDYNSVGDIGVEQLLPCLGVCKALYLRDNNISDRGICKLIECALHCEQLQKLALFNNKLTDGCAHSMAKLLACRQNFLALRLGNNYITAAGAQVLAEGLRGNTSLQFLGFWGNRVGDEGAQALAEALGDHQSLRWLSLVGNNIGSVGAQALALMLAKNVMLEELCLEENHLQDEGVCSLAEGLKKNSSLKILKLSNNCITYLGAEALLQALERNDTILEVWLRGNTFSLEEVDKLGCRDTRLLL
  
Inhibitor
Name:
BDBM31721
Synonyms:
4-[(E)-2-(2-chloranyl-5-nitro-phenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one | 4-[(E)-2-(2-chloro-5-nitro-phenyl)vinyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one | 4-[(E)-2-(2-chloro-5-nitrophenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one | 4-[2-(2-chloro-5-nitrophenyl)vinyl]-6-(trifluoromethyl)-2(1H)-pyrimidinone | MLS000530560 | SMR000135540 | cid_5347285
Type:
Small organic molecule
Emp. Form.:
C13H7ClF3N3O3
Mol. Mass.:
345.661
SMILES:
[O-][N+](=O)c1ccc(Cl)c(C=Cc2cc(nc(=O)[nH]2)C(F)(F)F)c1 |w:9.8|
Structure:
Search PDB for entries with ligand similarity: