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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](N)C(=O)N[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O)[C@H](O)c1ccc(O)cn1
InChI Key: InChIKey=WWJFFVUVFNBJTN-VHDFTHOZSA-N
Data: 3 IC50
| Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Chitin synthase 1 (Saccharomyces cerevisiae) | BDBM50089541 ((R)-[(S)-(2S,3S,4S)-2-Amino-4-hydroxy-4-(5-hydroxy...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet  | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de Rosario Curated by ChEMBL | Assay Description Inhibition of chitin synthase 1 in Saccharomyces cerevisiae after 90 mins in presence of trypsin | J Nat Prod 71: 1720-5 (2008) Article DOI: 10.1021/np070660i BindingDB Entry DOI: 10.7270/Q2513Z1P | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Chitin synthase 1 (Saccharomyces cerevisiae) | BDBM50089541 ((R)-[(S)-(2S,3S,4S)-2-Amino-4-hydroxy-4-(5-hydroxy...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de Rosario Curated by ChEMBL | Assay Description Inhibition of chitin synthase 1 in Saccharomyces cerevisiae assessed as incorporation of [14C]-N-Acetylglucosamine after 90 mins | J Nat Prod 71: 1720-5 (2008) Article DOI: 10.1021/np070660i BindingDB Entry DOI: 10.7270/Q2513Z1P | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Chitin synthase (Candida albicans) | BDBM50089541 ((R)-[(S)-(2S,3S,4S)-2-Amino-4-hydroxy-4-(5-hydroxy...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center Curated by ChEMBL | Assay Description Inhibitory of Candida albicans chitin synthase 1 | Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
