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Target
Nucleotide-binding oligomerization domain-containing protein 1
Ligand
BDBM62288
Substrate
n/a
Meas. Tech.
ChEMBL_812915 (CHEMBL2020290)
IC50
80±n/a nM
Citation
 Khan, PM; Correa, RG; Divlianska, DB; Peddibhotla, S; Sessions, EH; Magnuson, G; Brown, B; Suyama, E; Yuan, H; Mangravita-Novo, A; Vicchiarelli, M; Su, Y; Vasile, S; Smith, LH; Diaz, PW; Reed, JC; Roth, GP Identification of Inhibitors of NOD1-Induced Nuclear Factor-żB Activation. ACS Med Chem Lett 2:780-785 (2011) [PubMed]  Article 
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:
BDBM62288
Synonyms:
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide | 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(trifluoromethyloxy)phenyl]benzamide | MLS-0412185.0001 | cid_44229055
Type:
Small organic molecule
Emp. Form.:
C24H21F3N2O2
Mol. Mass.:
426.4309
SMILES:
FC(F)(F)Oc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1
Structure:
Search PDB for entries with ligand similarity: