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Target
Nucleotide-binding oligomerization domain-containing protein 1
Ligand
BDBM65737
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:
BDBM65737
Synonyms:
3-methyl-8-(3-phenylpropylsulfanyl)-7-propan-2-yl-purine-2,6-dione | 3-methyl-8-(3-phenylpropylsulfanyl)-7-propan-2-ylpurine-2,6-dione | 3-methyl-8-(3-phenylpropylthio)-7-propan-2-ylpurine-2,6-dione | 7-isopropyl-3-methyl-8-(3-phenylpropylthio)xanthine | MLS-0059529.0001 | cid_3111693
Type:
Small organic molecule
Emp. Form.:
C18H22N4O2S
Mol. Mass.:
358.458
SMILES:
CC(C)n1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
Structure:
Search PDB for entries with ligand similarity: