Reaction Details Report a problem with these data
Target
Nucleotide-binding oligomerization domain-containing protein 2
Ligand
BDBM50568939
Substrate
n/a
Meas. Tech.
ChEMBL_2107055 (CHEMBL4815730)
IC50
160±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:
BDBM50568939
Synonyms:
CHEMBL4849134
Type:
Small organic molecule
Emp. Form.:
C26H27Cl2N5O2
Mol. Mass.:
512.431
SMILES:
CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccc(Cl)cc4Cl)c(=O)n(C)c3n2)cc1
Structure:
Search PDB for entries with ligand similarity: