The small-molecule RNAP inhibitors of FluA：
The structures of all RNA polymerases are superimposed, and the pockets where the inhibitors bind intensively are found and numbered pocket 1, pocket 2, pocket 3, etc. A table of inhibitors in each pocket, including inhibitor name, drug name, 2D structure, and 3D visualization.The ID and PDB are linked to PDB database.
| ID | PDB | Name | Drug | 2D Diagram | 3D Interaction | |
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| Pocket1 | 9HD | 5VP8 | 1-[(3R,5S,7R)-1,5,7,9-tetrakis(2-oxopyrrolidin-1-yl)nonan-3-yl]-1,3-dihydro-2H-pyrrol-2-one |
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| Pocket2 | 581 | 4E5J | 2-[3-(acetylamino)phenyl]-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid |
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| 0N7 | 4E5F | 2-hydroxyisoquinoline-1,3(2H,4H)-dione |
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| 0N8 | 5CGV | (2Z)-4-[1-benzyl-4-(4-chlorobenzyl)piperidin-4-yl]-2-hydroxy-4-oxobut-2-enoic acid |
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| 5D8U | ||||||
| 5D9J | ||||||
| 5FDG | ||||||
| 4E5H | ||||||
| 0N9 | 4E5I | 5-hydroxy-2-(1-methyl-1H-imidazol-4-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid |
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| 27Y | 4MK1 | 5-bromo-3-hydroxypyridin-2(1H)-one |
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| 28A | 4MK5 | 3-hydroxy-6-(3-methoxyphenyl)pyridin-2(5H)-one |
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| 28B | 4MK2 | 3-(5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)benzonitrile |
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| 3K1 | 4W9S | 5-hydroxy-2-[4-(1H-tetrazol-5-yl)phenyl]pyrimidin-4(3H)-one |
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| 4KN | 4YYL | 2-(4-fluorophenoxy)-1-(2,3,4-trihydroxyphenyl)ethanone |
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| 4P8 | 4ZHZ | 5-(2-chlorobenzyl)-2-hydroxy-3-nitrobenzaldehyde |
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| 5FDD | ||||||
| 4P9 | 4ZI0 | 5-(2-chlorobenzyl)-2-hydroxy-3-nitrobenzaldehyde |
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| 5I13 | ||||||
| 8KU | 5WDW | 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-N-{[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide |
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| 9KU | 5WCS | 5-hydroxy-2-[(2S)-1-{[(naphthalen-1-yl)oxy]acetyl}pyrrolidin-2-yl]-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid |
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| CI1 | 4AWK | (2Z)-4-[(3S)-1-(benzylsulfonyl)-3-(4-chlorobenzyl)piperidin-3-yl]-2-hydroxy-4-oxobut-2-enoic acid |
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| CI3 | 4AWG | (2Z)-4-[(3S)-1-benzyl-3-(4-chlorobenzyl)piperidin-3-yl]-2-hydroxy-4-oxobut-2-enoic acid |
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| DBH | 4E5L | 2,3-DIHYDROXY-BENZOIC ACID |
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| E4Z | 6FS6 | Baloxavir acid | Baloxavir |
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| 6FS7 | ||||||
| 7K0W | ||||||
| G1K | 5WDN | 5-hydroxy-6-oxo-2-[(2S)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxylic acid |
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| G5V | 6DCY | 5-hydroxy-2-methyl-4-oxo-4H-pyran-3-carboxylic acid |
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| G5Y | 6DCZ | 3-hydroxy-4-oxo-4H-pyran-2-carboxylic acid |
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| GK0 | 5EGA | 3,4,5-tris(oxidanyl)-~{N}-[(~{E})-[3,4,5-tris(oxidanyl)phenyl]methylideneamino]benzamide |
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| GY4 | 5WCT | 2-{(2S)-1-[(4-chlorophenyl)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid |
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| GY5 | 5W3I | 5-hydroxy-N-(2-methoxyethyl)-6-oxo-2-[(2S)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxamide |
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| GY6 | 5W44 | 2-[(2S)-1-(2,6-dichlorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide |
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| 5WEF | ||||||
| 5WEI | ||||||
| GY7 | 5WE9 | 2-[(2S)-1-(2,6-difluorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide |
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| GY8 | 5W7U | 2-[(2S)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropy rimidine-4-carboxamide |
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| GY9 | 5W73 | 2-{(2S)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide |
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| GYA | 5WB3 | 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-ox o-1,6-dihydropyrimidine-4-carboxamide |
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| 5WFW | ||||||
| HJP | 6DZQ | 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid |
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| HKD | 6E0Q | 4,6-dihydroxy-2-methyl-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid |
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| HNS | 6E3N | 3-hydroxy-6-(2-methylphenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid |
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| HNY | 6E3O | 6-(2-ethylphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid |
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| HO1 | 6E3P | 3-hydroxy-4-oxo-6-[3-(1H-tetrazol-5-yl)phenyl]-1,4-dihydropyridine-2-carboxylic acid | Pimodivir |
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| HOG | 6E3M | 6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid | Pimodivir |
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| HRJ | 6E4C | 3-hydroxy-6-[2-methyl-4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid |
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| HWA | 6E6V | 3-hydroxy-6-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid |
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| HWJ | 6E6X | 3-hydroxy-6-[2-methyl-4-(1H-tetrazol-5-yl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid |
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| HWM | 6E6W | 5-hydroxy-2-methyl-1-[4-(1H-tetrazol-5-yl)phenyl]pyridin-4(1H)-one |
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| KU0 | 5W92 | 2-[(2S)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide |
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| 5WFZ | ||||||
| KU2 | 5W9G | 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4 -carboxamide |
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| 5WF3 | ||||||
| KU4 | 5WA7 | 2-{(2S)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide |
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| 5WG9 | ||||||
| KU5 | 5WEB | 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide |
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| 5WFM | ||||||
| KU7 | 5WA6 | 2-{(2S)-1-[(2-fluorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide |
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| KU9 | 5WAP | 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide |
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| LU2 | 6YA5 | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one |
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| OOH | 6YEM | 3,5,6,8-tetrakis(oxidanyl)-2-pentanoyl-naphthalene-1,4-dione |
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| G2K | 5WDC | 2-{(2S)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide |
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| G3K | 5WE7 | 2-{(2R)-1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid |
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| R07 | 5VPT | 1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione |
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| 5VPX | ||||||
| 5VQN | ||||||
| 5VRJ | ||||||
| SL6 | 4AVG | (Z)-4-[4-[(4-chlorophenyl)methyl]-1-(cyclohexylmethyl)piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoic acid |
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| XI7 | 4AWF | 2-4-DIOXO-4-PHENYLBUTANOIC ACID |
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| 4E5G | ||||||
| KDH | 4AWM | (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate |
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| Pocket3 | ||||||
| Pocket4 | 1CI | 5IEQ | 1-(4-CHLOROPHENYL)-1H-IMIDAZOLE |
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| 6AQ | 5IFD | 1-(4-fluorophenyl)-1H-imidazole |
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| 6AR | 5IFC | 1-(4-bromophenyl)-1H-imidazole |
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| 6AV | 5IFB | 5-chloro-2-(1H-imidazol-1-yl)aniline |
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| 6AX | 5IF8 | 5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine |
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| 6AY | 5IF7 | N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
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| 6B0 | 5IF5 | (2,3-dichlorophenyl)methanol |
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| 6B1 | 5IF2 | (5,6-dichloro-1H-benzimidazol-2-yl)methanol |
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| 8QG | 5V0U | 4-(5-chlorothiophen-2-yl)-1H-pyrazole |
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| EZS | 6CFP | 1-{1-[(4-fluorophenyl)methyl]-2-methyl-1H-imidazol-4-yl}ethan-1-one |
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| Pocket5 | 704 | 4NCM | N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N,N-dimethyl-L-alaninamide |
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| 29R | 4CB6 | 2,9-N,N-DI(4-CARBOXYBUTYL)-7-N-METHYLGUANINE |
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| 41G | 4CB7 | 5-[2-(2-azanyl-7-methyl-6-oxidanylidene-1H-purin-9-ium-9-yl)ethanoyl]-2-oxidanyl-benzoic acid |
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| 4EW | 4YD0 | 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-N-[(1R,2S,3S,4R)-3-(1H-tetrazol-5-yl)bicyclo[2.2.2]oct-2-yl]pyrimidin-4-amine |
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| 4V7 | 5F79 | N-[(1R,3S)-3-({5-fluoro-2-[5-fluoro-2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl}amino)cyclohexyl]pyrrolidine-1-carboxamide |
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| 5BUH | ||||||
| 6NS | 5JUR | (3~{R})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-4,4-dimethyl-pentanoic acid |
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| 6NU | 5JUN | (3~{R})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclobutyl)propanoic acid |
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| 93G | 4CB5 | 9-N-(3-CARBOXY-4-HYDROXYPHENYL)KETOMETHYL-7-N-METHYLGUANINE |
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| BYB | 6EUW | (2~{S},3~{S})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid |
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| 6EUY | ||||||
| 21G | 4P1U | (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid |
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| 6EUV | ||||||
| Pocket7 | ||||||
| Pocket6 | 5WL0 |