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Target
Disks large homolog 4
Ligand
BDBM50339551
Substrate
n/a
Meas. Tech.
ChEMBL_736707 (CHEMBL1695088)
Ki
2100±n/a nM
Citation
 Bach, A; Eildal, JN; Stuhr-Hansen, N; Deeskamp, R; Gottschalk, M; Pedersen, SW; Kristensen, AS; Strømgaard, K Cell-permeable and plasma-stable peptidomimetic inhibitors of the postsynaptic density-95/N-methyl-D-aspartate receptor interaction. J Med Chem 54:1333-46 (2011) [PubMed]  Article
Target
Name:
Disks large homolog 4
Synonyms:
DLG4 | DLG4_HUMAN | PSD95
Type:
PROTEIN
Mol. Mass.:
80483.80
Organism:
Homo sapiens (Human)
Description:
ChEMBL_736705
Residue:
724
Sequence:
MDCLCIVTTKKYRYQDEDTPPLEHSPAHLPNQANSPPVIVNTDTLEAPGYELQVNGTEGEMEYEEITLERGNSGLGFSIAGGTDNPHIGDDPSIFITKIIPGGAAAQDGRLRVNDSILFVNEVDVREVTHSAAVEALKEAGSIVRLYVMRRKPPAEKVMEIKLIKGPKGLGFSIAGGVGNQHIPGDNSIYVTKIIEGGAAHKDGRLQIGDKILAVNSVGLEDVMHEDAVAALKNTYDVVYLKVAKPSNAYLSDSYAPPDITTSYSQHLDNEISHSSYLGTDYPTAMTPTSPRRYSPVAKDLLGEEDIPREPRRIVIHRGSTGLGFNIVGGEDGEGIFISFILAGGPADLSGELRKGDQILSVNGVDLRNASHEQAAIALKNAGQTVTIIAQYKPEEYSRFEAKIHDLREQLMNSSLGSGTASLRSNPKRGFYIRALFDYDKTKDCGFLSQALSFRFGDVLHVIDASDEEWWQARRVHSDSETDDIGFIPSKRRVERREWSRLKAKDWGSSSGSQGREDSVLSYETVTQMEVHYARPIIILGPTKDRANDDLLSEFPDKFGSCVPHTTRPKREYEIDGRDYHFVSSREKMEKDIQAHKFIEAGQYNSHLYGTSVQSVREVAEQGKHCILDVSANAVRRLQAAHLHPIAIFIRPRSLENVLEINKRITEEQARKAFDRATKLEQEFTECFSAIVEGDSFEEIYHKVKRVIEDLSGPYIWVPARERL
  
Inhibitor
Name:
BDBM50339551
Synonyms:
(S)-2-[(S)-2-((2S,3R)-2-{(S)-2-[(Adamantan-1-ylmethyl)-amino]-4-carboxy-butyrylamino}-3-hydroxy-butyrylamino)-propionylamino]-3-methyl-butyric acid | CHEMBL1688615
Type:
Small organic molecule
Emp. Form.:
C28H46N4O8
Mol. Mass.:
566.6868
SMILES:
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCC12CC3CC(CC(C3)C1)C2)[C@@H](C)O)C(O)=O |r,TLB:33:24:31:27.28.29,23:24:27:31.30.29,23:24:31:27.28.29,THB:33:28:31:25.24.32,32:24:27:31.30.29,32:30:27:25.24.33|
Structure:
Search PDB for entries with ligand similarity: