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Target
Nucleotide-binding oligomerization domain-containing protein 2
Ligand
BDBM50568936
Substrate
n/a
Meas. Tech.
ChEMBL_2107055 (CHEMBL4815730)
IC50
22±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:
BDBM50568936
Synonyms:
CHEMBL4864600
Type:
Small organic molecule
Emp. Form.:
C21H16Cl2N4O3S
Mol. Mass.:
475.348
SMILES:
Cn1c2nc(Nc3cccc(c3)S(C)(=O)=O)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(31.78,-28.56,;31.78,-27.03,;30.46,-26.25,;29.13,-27.02,;27.81,-26.25,;26.47,-27.02,;25.14,-26.26,;23.8,-27.03,;22.47,-26.26,;22.47,-24.71,;23.8,-23.94,;25.13,-24.71,;23.79,-22.4,;25.13,-21.63,;22.3,-21.99,;23.39,-20.9,;27.79,-24.72,;29.12,-23.94,;30.46,-24.71,;31.8,-23.94,;33.13,-24.72,;34.47,-23.96,;34.47,-22.42,;33.14,-21.65,;35.8,-21.65,;37.14,-22.43,;37.13,-23.97,;35.79,-24.73,;35.78,-26.27,;33.13,-26.26,;34.45,-27.04,)|
Structure:
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