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Target
Nucleotide-binding oligomerization domain-containing protein 2
Ligand
BDBM49106
Substrate
n/a
Meas. Tech.
SAR analysis of compounds that inhibit NOD2 - Set 2
IC50
4180±n/a nM
Citation
 PubChem, PC SAR analysis of compounds that inhibit NOD2 - Set 2 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:
BDBM49106
Synonyms:
7-[(E)-but-2-enyl]-3-methyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione | 7-[(E)-but-2-enyl]-3-methyl-8-(3-phenylpropylthio)purine-2,6-dione | 7-[(E)-but-2-enyl]-3-methyl-8-(3-phenylpropylthio)xanthine | MLS000100710 | SMR000015484 | cid_5310346
Type:
Small organic molecule
Emp. Form.:
C19H22N4O2S
Mol. Mass.:
370.469
SMILES:
C\C=C\Cn1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
Structure:
Search PDB for entries with ligand similarity: