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Target
Nucleotide-binding oligomerization domain-containing protein 2
Ligand
BDBM54429
Substrate
n/a
Meas. Tech.
SAR analysis of compounds that inhibit NOD2 revised
IC50
7500±n/a nM
Citation
 PubChem, PC SAR analysis of compounds that inhibit NOD2 revised 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:
BDBM54429
Synonyms:
4-hydroxy-6-phenyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-5-pyrimidinecarbonitrile | 4-keto-6-phenyl-2-[[3-(trifluoromethyl)benzyl]thio]-1H-pyrimidine-5-carbonitrile | 4-oxidanylidene-6-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidine-5-carbonitrile | 4-oxo-6-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidine-5-carbonitrile | 4-oxo-6-phenyl-2-[[3-(trifluoromethyl)phenyl]methylthio]-1H-pyrimidine-5-carbonitrile | MLS001165305 | SMR000549815 | cid_1471857
Type:
Small organic molecule
Emp. Form.:
C19H12F3N3OS
Mol. Mass.:
387.378
SMILES:
FC(F)(F)c1cccc(CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)c1
Structure:
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