Crystallization (Comment) | Organism |
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homology modeling and docking of inhibitors N-[2-(1H-imidazol-4-yl)ethyl]-3-[1-(2-methoxyethyl)indol-3-yl]propanamide, 5,7-dihydroxy-2-phenyl-6,8-bis(1-piperidylmethyl)chromen-4-one, (2S)-2-[[2-[[(2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoyl]amino]acetyl]amino]propanoic acid and 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6,8-dimethyl-chromen-2-one. All inhibitors bind in the substrate binding pocket, all complexes maintain similar potential energy and are stable | Spodoptera exigua |
homology modeling and docking of inhibitors N-[2-(1H-imidazol-4-yl)ethyl]-3-[1-(2-methoxyethyl)indol-3-yl]propanamide, 5,7-dihydroxy-2-phenyl-6,8-bis(1-piperidylmethyl)chromen-4-one, (2S)-2-[[2-[[(2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoyl]amino]acetyl]amino]propanoic acid and 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6,8-dimethyl-chromen-2-one. All inhibitors bind in the substrate binding pocket, all complexes maintain similar potential energy and are stable | Helicoverpa armigera |
homology modeling and docking of inhibitors N-[2-(1H-imidazol-4-yl)ethyl]-3-[1-(2-methoxyethyl)indol-3-yl]propanamide, 5,7-dihydroxy-2-phenyl-6,8-bis(1-piperidylmethyl)chromen-4-one, (2S)-2-[[2-[[(2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoyl]amino]acetyl]amino]propanoic acid and 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6,8-dimethyl-chromen-2-one. All inhibitors bind in the substrate binding pocket, all complexes maintain similar potential energy and are stable | Aphis gossypii |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
(2S)-2-[[2-[[(2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoyl]amino]acetyl]amino]propanoic acid | ZINC12654467, probably competitive inhibitor identified by in silico screening | Aphis gossypii | |
(2S)-2-[[2-[[(2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoyl]amino]acetyl]amino]propanoic acid | ZINC12654467, probably competitive inhibitor identified by in silico screening | Helicoverpa armigera | |
(2S)-2-[[2-[[(2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoyl]amino]acetyl]amino]propanoic acid | ZINC12654467, probably competitive inhibitor identified by in silico screening | Spodoptera exigua | |
4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6,8-dimethyl-chromen-2-one | ZINC20412486, probably competitive inhibitor identified by in silico screening | Aphis gossypii | |
4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6,8-dimethyl-chromen-2-one | ZINC20412486, probably competitive inhibitor identified by in silico screening | Helicoverpa armigera | |
4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6,8-dimethyl-chromen-2-one | ZINC20412486, probably competitive inhibitor identified by in silico screening | Spodoptera exigua | |
5,7-dihydroxy-2-phenyl-6,8-bis(1-piperidylmethyl)chromen-4-one | i.e. ZINC08836734, probably competitive inhibitor identified by in silico screening | Aphis gossypii | |
5,7-dihydroxy-2-phenyl-6,8-bis(1-piperidylmethyl)chromen-4-one | i.e. ZINC08836734, probably competitive inhibitor identified by in silico screening | Helicoverpa armigera | |
5,7-dihydroxy-2-phenyl-6,8-bis(1-piperidylmethyl)chromen-4-one | i.e. ZINC08836734, probably competitive inhibitor identified by in silico screening | Spodoptera exigua | |
N-[2-(1H-imidazol-4-yl)ethyl]-3-[1-(2-methoxyethyl)indol-3-yl]propanamide | i.e. ZINC79191494, probably competitive inhibitor identified by in silico screening | Aphis gossypii | |
N-[2-(1H-imidazol-4-yl)ethyl]-3-[1-(2-methoxyethyl)indol-3-yl]propanamide | i.e. ZINC79191494, probably competitive inhibitor identified by in silico screening | Helicoverpa armigera | |
N-[2-(1H-imidazol-4-yl)ethyl]-3-[1-(2-methoxyethyl)indol-3-yl]propanamide | i.e. ZINC79191494, probably competitive inhibitor identified by in silico screening | Spodoptera exigua |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Aphis gossypii | F4YCW3 | - |
- |
Helicoverpa armigera | - |
- |
- |
Spodoptera exigua | - |
- |
- |