BDBM50335519 (S)-3,6-Diamino-hexanoic acid {(3S,9S,12S,15S)-3-((S)-6-hydroxy-2-imino-hexahydro-pyrimidin-4-yl)-9,12-bis-hydroxymethyl-2,5,8,11,14-pentaoxo-6-[1-ureido-meth-(Z)-ylidene]-1,4,7,10,13pentaaza-cyclohexadec-15-yl}-amide::4-Naphthalen-2-ylmethyl-4,5-dihydro-1H-imidazole::CHEMBL262777::Chloroorienticin B derivative::Glycopeptide antibiotic::Mannopeptimycin Glycopeptide::Mannopeptimycin glycopeptide analogue::N-demethylvancomycin derivative::Poly ethylene glycol derivative::Tuberactinomycin Analogue::Vancocin::Vancoled::Vancor::Viomycin derivative::vancomycin::vanomycin

SMILES CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(N)[C@H](O)[C@H](C)O1)c(Cl)c2

InChI Key InChIKey=MYPYJXKWCTUITO-LYRMYLQWSA-N

Data  6 KI  8 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50335519   

TargetCholesterol side-chain cleavage enzyme, mitochondrial(Rattus norvegicus)
National Chemical Laboratory (Csir-Ncl)

Curated by ChEMBL
LigandPNGBDBM50335519((S)-3,6-Diamino-hexanoic acid {(3S,9S,12S,15S)-3-(...)
Affinity DataIC50:  41.4nMAssay Description:Antibacterial activity against gram positive bacteria Enterococcus faecalis was determined by twofold Micro-broth dilution assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed