The small-molecule RNAP inhibitors of Mycobacterium tuberculosis:


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.

Pocket ID PDB Name Drug 2D Diagram 3D Interaction
Pocket1 88D 5UHF N-[(2R)-1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]selenophene-2-carboxamide
88G 5UHE N-[(2R)-1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
5UHG
Pocket2 RFP 5UH6 [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[(E)-(4-methylpiperazin-1-yl)iminomethyl]-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate Rifampicin
5UHB
5UHC
5UHD
SRN 6VVY (E,6R)-6-methyl-8-[(1S,4Z,6Z,8E,10R,12R,14R,16S,17E,20R,21R,22S,24R,25S,26S,27E,31E,34S,36S,40R)-22,25,26-trihydroxy-21,40-dimethyl-3-oxo-2,11,15,35,39-pentaoxapentacyclo[32.2.2.112,16.120,24.010,14]tetraconta-4,6,8,17,27,31,37-heptaen-36-yl]non-7-enoic acid SORANGICIN A
6VVX
6VVZ
Pocket2 C0L 6EEC methyl N-[(E,5R)-5-[4-hydroxy-5-[(2E,4E,8R,9E,12E)-8-hydroxy-2,5,9-trimethyltetradeca-2,4,9,12-tetraenoyl]-6-oxopyran-2-yl]hex-1-enyl]carbamate Corallopyronin A
6M7J
Pocket2 FI8 6BZO [(2R,3S,4S,5S,6R)-6-[[(3E,5E,8S,9E,11S,12R,13E,15E,18S)-12-[(2R,3S,4R,5S)-3,4-dihydroxy-6,6-dimethyl-5-(2-methylpropanoyloxy)oxan-2-yl]oxy-11-ethyl-8-hydroxy-18-[(1R)-1-hydroxyethyl]-9,13,15-trimethyl-2-oxo-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy]-4-hydroxy-5-methoxy-2-methyloxan-3-yl] 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate Fidaxomicin
6C06
6FBV