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Target
Nucleotide-binding oligomerization domain-containing protein 2
Ligand
BDBM50568934
Substrate
n/a
Meas. Tech.
ChEMBL_2107055 (CHEMBL4815730)
IC50
5.0±n/a nM
Citation
 Nikhar, S; Siokas, I; Schlicher, L; Lee, S; Gyrd-Hansen, M; Degterev, A; Cuny, GD Design of pyrido[2,3-d]pyrimidin-7-one inhibitors of receptor interacting protein kinase-2 (RIPK2) and nucleotide-binding oligomerization domain (NOD) cell signaling. Eur J Med Chem 215:0 (2021) [PubMed]  Article 
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:
BDBM50568934
Synonyms:
CHEMBL4864576
Type:
Small organic molecule
Emp. Form.:
C33H33Cl2N5O4S
Mol. Mass.:
666.617
SMILES:
CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(Cc4cccc(c4)S(C)(=O)=O)c3n2)cc1 |(26.34,-6.01,;27.68,-5.24,;29.01,-6.01,;29.01,-7.55,;27.68,-8.32,;30.34,-5.24,;31.68,-6,;33.01,-5.23,;34.34,-6,;34.34,-7.55,;35.68,-8.32,;37.01,-7.55,;38.35,-8.32,;39.68,-7.54,;39.67,-6.01,;40.99,-5.23,;42.34,-6,;43.67,-5.23,;45.01,-6.01,;46.35,-5.25,;46.35,-3.71,;45.01,-2.94,;47.68,-2.94,;49.02,-3.72,;49.01,-5.26,;47.67,-6.02,;47.66,-7.56,;45,-7.55,;46.33,-8.33,;43.66,-8.32,;43.65,-9.86,;42.32,-10.62,;40.99,-9.84,;39.66,-10.6,;39.65,-12.14,;40.99,-12.92,;42.32,-12.15,;40.98,-14.45,;39.65,-15.22,;42.47,-14.05,;42.07,-15.54,;42.33,-7.54,;41.01,-8.31,;37.01,-6,;35.67,-5.23,)|
Structure:
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