Reaction Details Report a problem with these data
Target
Nucleotide-binding oligomerization domain-containing protein 1
Ligand
BDBM54367
Substrate
n/a
Meas. Tech.
SAR analysis of compounds that inhibit NOD1 revised
IC50
260±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:
BDBM54367
Synonyms:
2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-(4-methoxyanilino)ethylidene]-5-oxo-3-pyrazolyl]acetic acid methyl ester | 2-[(4E)-1-(1,3-benzothiazol-2-yl)-5-keto-4-[1-(p-anisidino)ethylidene]-2-pyrazolin-3-yl]acetic acid methyl ester | MLS000778899 | SMR000415593 | cid_16460826 | methyl 2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-(4-methoxyanilino)ethylidene]-5-oxopyrazol-3-yl]acetate | methyl 2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-[(4-methoxyphenyl)amino]ethylidene]-5-oxidanylidene-pyrazol-3-yl]ethanoate | {1-Benzothiazol-2-yl-4-[1-(4-methoxy-phenylamino)-eth-(E)-ylidene]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}- acetic acid methyl ester
Type:
Small organic molecule
Emp. Form.:
C22H20N4O4S
Mol. Mass.:
436.484
SMILES:
COC(=O)Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccc(OC)cc1 |w:22.25|
Structure:
Search PDB for entries with ligand similarity: