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Target
Nucleotide-binding oligomerization domain-containing protein 1
Ligand
BDBM44245
Substrate
n/a
Meas. Tech.
SAR analysis of compounds that inhibit NOD1 revised
IC50
39.1±n/a nM
Citation
 PubChem, PC SAR analysis of compounds that inhibit NOD1 revised PubChem Bioassay (2010)[AID] 
Target
Name:
Nucleotide-binding oligomerization domain-containing protein 1
Synonyms:
CARD4 | NOD1 | NOD1_HUMAN | nucleotide-binding oligomerization domain containing 1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
107699.03
Organism:
Homo sapiens (Human)
Description:
gi_5174617
Residue:
953
Sequence:
MEEQGHSEMEIIPSESHPHIQLLKSNRELLVTHIRNTQCLVDNLLKNDYFSAEDAEIVCACPTQPDKVRKILDLVQSKGEEVSEFFLYLLQQLADAYVDLRPWLLEIGFSPSLLTQSKVVVNTDPVSRYTQQLRHHLGRDSKFVLCYAQKEELLLEEIYMDTIMELVGFSNESLGSLNSLACLLDHTTGILNEQGETIFILGDAGVGKSMLLQRLQSLWATGRLDAGVKFFFHFRCRMFSCFKESDRLCLQDLLFKHYCYPERDPEEVFAFLLRFPHVALFTFDGLDELHSDLDLSRVPDSSCPWEPAHPLVLLANLLSGKLLKGASKLLTARTGIEVPRQFLRKKVLLRGFSPSHLRAYARRMFPERALQDRLLSQLEANPNLCSLCSVPLFCWIIFRCFQHFRAAFEGSPQLPDCTMTLTDVFLLVTEVHLNRMQPSSLVQRNTRSPVETLHAGRDTLCSLGQVAHRGMEKSLFVFTQEEVQASGLQERDMQLGFLRALPELGPGGDQQSYEFFHLTLQAFFTAFFLVLDDRVGTQELLRFFQEWMPPAGAATTSCYPPFLPFQCLQGSGPAREDLFKNKDHFQFTNLFLCGLLSKAKQKLLRHLVPAAALRRKRKALWAHLFSSLRGYLKSLPRVQVESFNQVQAMPTFIWMLRCIYETQSQKVGQLAARGICANYLKLTYCNACSADCSALSFVLHHFPKRLALDLDNNNLNDYGVRELQPCFSRLTVLRLSVNQITDGGVKVLSEELTKYKIVTYLGLYNNQITDVGARYVTKILDECKGLTHLKLGKNKITSEGGKYLALAVKNSKSISEVGMWGNQVGDEGAKAFAEALRNHPSLTTLSLASNGISTEGGKSLARALQQNTSLEILWLTQNELNDEVAESLAEMLKVNQTLKHLWLIQNQITAKGTAQLADALQSNTGITEICLNGNLIKPEEAKVYEDEKRIICF
  
Inhibitor
Name:
BDBM44245
Synonyms:
2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-(4-chloroanilino)ethylidene]-5-keto-2-pyrazolin-3-yl]acetic acid methyl ester | 2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-(4-chloroanilino)ethylidene]-5-oxo-3-pyrazolyl]acetic acid methyl ester | MLS000778920 | SMR000415623 | cid_6861088 | methyl 2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-(4-chloroanilino)ethylidene]-5-oxopyrazol-3-yl]acetate | methyl 2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-[(4-chlorophenyl)amino]ethylidene]-5-oxidanylidene-pyrazol-3-yl]ethanoate | {1-Benzothiazol-2-yl-4-[1-(4-chloro-phenylamino)-eth-(E)-ylidene]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}-ac etic acid methyl ester
Type:
Small organic molecule
Emp. Form.:
C21H17ClN4O3S
Mol. Mass.:
440.903
SMILES:
COC(=O)Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccc(Cl)cc1 |w:22.25|
Structure:
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