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Target
Nucleotide-binding oligomerization domain-containing protein 2
Ligand
BDBM50568935
Substrate
n/a
Meas. Tech.
ChEMBL_2107055 (CHEMBL4815730)
IC50
136±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:
BDBM50568935
Synonyms:
CHEMBL4868894
Type:
Small organic molecule
Emp. Form.:
C21H16Cl2N4O3S
Mol. Mass.:
475.348
SMILES:
Cn1c2nc(Nc3ccc(cc3)S(C)(=O)=O)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(13.36,-27.74,;13.37,-26.2,;12.04,-25.43,;10.72,-26.2,;9.39,-25.43,;8.06,-26.2,;6.72,-25.43,;5.39,-26.2,;4.05,-25.43,;4.06,-23.89,;5.38,-23.12,;6.72,-23.88,;2.72,-23.12,;1.39,-23.89,;1.94,-21.78,;3.49,-21.78,;9.38,-23.89,;10.7,-23.12,;12.05,-23.89,;13.38,-23.11,;14.72,-23.9,;16.05,-23.13,;16.05,-21.6,;14.72,-20.83,;17.38,-20.83,;18.72,-21.61,;18.71,-23.15,;17.38,-23.91,;17.37,-25.45,;14.71,-25.44,;16.04,-26.22,)|
Structure:
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