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Target
Nucleotide-binding oligomerization domain-containing protein 1
Ligand
BDBM65731
Substrate
n/a
Meas. Tech.
SAR analysis of compounds that inhibit NOD1 - Set 3
IC50
1990±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:
BDBM65731
Synonyms:
3-methyl-7-(phenylmethyl)-8-(propan-2-ylthio)purine-2,6-dione | 3-methyl-7-(phenylmethyl)-8-propan-2-ylsulfanyl-purine-2,6-dione | 7-benzyl-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione | 7-benzyl-8-(isopropylthio)-3-methyl-xanthine | MLS-0342317.0001 | cid_814607
Type:
Small organic molecule
Emp. Form.:
C16H18N4O2S
Mol. Mass.:
330.405
SMILES:
CC(C)Sc1nc2n(C)c(=O)[nH]c(=O)c2n1Cc1ccccc1
Structure:
Search PDB for entries with ligand similarity: