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Target
Nucleotide-binding oligomerization domain-containing protein 2
Ligand
BDBM59541
Substrate
n/a
Meas. Tech.
SAR analysis of compounds that inhibit NOD2 revised
IC50
5880±n/a nM
Citation
 PubChem, PC SAR analysis of compounds that inhibit NOD2 revised 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:
BDBM59541
Synonyms:
3-[2-[2-(4-chlorophenyl)-1-cyano-2-oxoethylidene]hydrazinyl]-4-propan-2-ylsulfonyl-2-thiophenecarboxylic acid methyl ester | 3-[N'-[2-(4-chlorophenyl)-1-cyano-2-keto-ethylidene]hydrazino]-4-isopropylsulfonyl-thiophene-2-carboxylic acid methyl ester | MLS000859220 | SMR000459399 | cid_2819758 | methyl 3-[2-[2-(4-chlorophenyl)-1-cyano-2-oxidanylidene-ethylidene]hydrazinyl]-4-propan-2-ylsulfonyl-thiophene-2-carboxylate | methyl 3-[2-[2-(4-chlorophenyl)-1-cyano-2-oxoethylidene]hydrazinyl]-4-propan-2-ylsulfonylthiophene-2-carboxylate | methyl 3-{2-[2-(4-chlorophenyl)-1-cyano-2-oxoethylidene]hydrazino}-4-(isopropylsulfonyl)thiophene-2-carboxylate
Type:
Small organic molecule
Emp. Form.:
C18H16ClN3O5S2
Mol. Mass.:
453.92
SMILES:
COC(=O)c1scc(c1NN=C(C#N)C(=O)c1ccc(Cl)cc1)S(=O)(=O)C(C)C |w:10.10|
Structure:
Search PDB for entries with ligand similarity: