BDBM50089541 (R)-[(S)-(2S,3S,4S)-2-Amino-4-hydroxy-4-(5-hydroxy-pyridin-2-yl)-3-methyl-butyrylamino]-[(3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-yl]-acetic acid::(S)-2-((2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanamido)-2-((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)acetic acid::(S)-[(2R,3R,4R)-2-Amino-4-hydroxy-4-(5-hydroxy-pyridin-2-yl)-3-methyl-butyrylamino]-[(S)-5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-yl]-acetic acid::(S)-[(2S,3S,4S)-2-Amino-4-hydroxy-4-(5-hydroxy-pyridin-2-yl)-3-methyl-butyrylamino]-[(2R,3R,5R)-5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-yl]-acetic acid::(S)-[(2S,3S,4S)-2-Amino-4-hydroxy-4-(5-hydroxy-pyridin-2-yl)-3-methyl-butyrylamino]-[5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-yl]-acetic acid::CHEMBL35306::NIKKOMYCIN::[(S)-(2S,3S,4S)-2-Amino-4-hydroxy-4-(5-hydroxy-pyridin-2-yl)-3-methyl-butyrylamino]-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-yl]-acetic acid::[(S)-2-Amino-4-hydroxy-4-((1S,2S)-5-hydroxy-pyridin-2-yl)-3-methyl-butyrylamino]-[5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-yl]-acetic acid::[2-Amino-4-hydroxy-4-(5-hydroxy-pyridin-2-yl)-3-methyl-butyrylamino]-[5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-yl]-acetic acid(nikkomycin Z)::nikkomycin Z

SMILES C[C@H]([C@@H](c1ccc(cn1)O)O)[C@@H](C(=O)N[C@@H]([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)N

InChI Key InChIKey=WWJFFVUVFNBJTN-UHFFFAOYSA-N

Data  4 IC50

PDB links: 4 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50089541   

TargetChitin synthase 1(Baker's yeast)
Universidad Nacional De Rosario

Curated by ChEMBL
LigandPNGBDBM50089541((S)-[(2S,3S,4S)-2-Amino-4-hydroxy-4-(5-hydroxy-pyr...)
Affinity DataIC50: 0.200nMAssay Description:Inhibition of chitin synthase 1 in Saccharomyces cerevisiae after 90 mins in presence of trypsinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetChitin synthase 1(Yeast)
Nippon Roche Research Center

Curated by ChEMBL
LigandPNGBDBM50089541((S)-[(2S,3S,4S)-2-Amino-4-hydroxy-4-(5-hydroxy-pyr...)
Affinity DataIC50: 3.20E+3nMAssay Description:Inhibitory of Candida albicans chitin synthase 1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetChitin synthase 1(Baker's yeast)
Universidad Nacional De Rosario

Curated by ChEMBL
LigandPNGBDBM50089541((S)-[(2S,3S,4S)-2-Amino-4-hydroxy-4-(5-hydroxy-pyr...)
Affinity DataIC50: 0.200nMAssay Description:Inhibition of chitin synthase 1 in Saccharomyces cerevisiae assessed as incorporation of [14C]-N-Acetylglucosamine after 90 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetChitin synthase 1(Yeast)
Nippon Roche Research Center

Curated by ChEMBL
LigandPNGBDBM50089541((S)-[(2S,3S,4S)-2-Amino-4-hydroxy-4-(5-hydroxy-pyr...)
Affinity DataIC50: 3.20E+3nMAssay Description:Inhibition of Candida albicans chitin synthase 1More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed