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Target
Nucleotide-binding oligomerization domain-containing protein 1
Ligand
BDBM65736
Substrate
n/a
Meas. Tech.
SAR analysis of compounds that inhibit NOD1 - Set 3
IC50
>20000±n/a nM
Citation
 PubChem, PC SAR analysis of compounds that inhibit NOD1 - Set 3 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:
BDBM65736
Synonyms:
7-[(E)-but-2-enyl]-8-[(4-chlorobenzyl)thio]-3-methyl-xanthine | 7-[(E)-but-2-enyl]-8-[(4-chlorophenyl)methylsulfanyl]-3-methyl-purine-2,6-dione | 7-[(E)-but-2-enyl]-8-[(4-chlorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione | 7-[(E)-but-2-enyl]-8-[(4-chlorophenyl)methylthio]-3-methylpurine-2,6-dione | MLS-0018272.0001 | cid_5761205
Type:
Small organic molecule
Emp. Form.:
C17H17ClN4O2S
Mol. Mass.:
376.86
SMILES:
C\C=C\Cn1c(SCc2ccc(Cl)cc2)nc2n(C)c(=O)[nH]c(=O)c12
Structure:
Search PDB for entries with ligand similarity: