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Target
Nucleotide-binding oligomerization domain-containing protein 2
Ligand
BDBM56887
Substrate
n/a
Meas. Tech.
SAR analysis of compounds that inhibit NOD2 - Set 3
IC50
>20000±n/a nM
Citation
 PubChem, PC SAR analysis of compounds that inhibit NOD2 - Set 3 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:
BDBM56887
Synonyms:
7-Butyl-3-methyl-8-(2-oxo-2-phenyl-ethylsulfanyl)-3,7-dihydro-purine-2,6-dione | 7-butyl-3-methyl-8-(phenacylthio)purine-2,6-dione | 7-butyl-3-methyl-8-(phenacylthio)xanthine | 7-butyl-3-methyl-8-phenacylsulfanyl-purine-2,6-dione | 7-butyl-3-methyl-8-phenacylsulfanylpurine-2,6-dione | MLS000072071 | SMR000009754 | cid_646940
Type:
Small organic molecule
Emp. Form.:
C18H20N4O3S
Mol. Mass.:
372.441
SMILES:
CCCCn1c(SCC(=O)c2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
Structure:
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