Any feedback?
Literature summary extracted from
- Receptor based 3D-QSAR to identify putative binders of Mycobacterium tuberculosis enoyl acyl carrier protein reductase (2010), J. Mol. Model., 16, 877-893.
Application
| EC Number | Application | Comment | Organism |
|---|---|---|---|
| 1.3.1.9 | medicine | Mycobacterium tuberculosis enoyl acyl carrier protein reductase represents a prospective drug target against tuberculosis, identified MtENR binders can be characterized as potential therapeutic targets laying a foundation for future lead identification and optimization studies | Mycobacterium tuberculosis |
Inhibitors
| EC Number | Inhibitors | Comment | Organism | Structure |
|---|---|---|---|---|
| 1.3.1.9 | 1-(3-chlorocyclohexyl)-4-[(2-fluorophenyl)carbonyl]piperazine | - |
Mycobacterium tuberculosis |  |
| 1.3.1.9 | 1-(3-chlorocyclohexyl)-4-[(3,4-dichlorophenyl)carbonyl]piperazine | - |
Mycobacterium tuberculosis | |
| 1.3.1.9 | 1-(3-chlorocyclohexyl)-4-[(3,4-dimethylphenyl)carbonyl]piperazine | - |
Mycobacterium tuberculosis | |
| 1.3.1.9 | 1-(3-chlorocyclohexyl)-4-[(3-chlorophenyl)carbonyl]piperazine | - |
Mycobacterium tuberculosis | |
| 1.3.1.9 | 1-(3-chlorocyclohexyl)-4-[(3-methylphenyl)carbonyl]piperazine | - |
Mycobacterium tuberculosis | |
| 1.3.1.9 | 1-(3-chlorocyclohexyl)-4-[(4-fluorophenyl)carbonyl]piperazine | - |
Mycobacterium tuberculosis | |
| 1.3.1.9 | 1-(3-chlorocyclohexyl)-4-[(4-methylphenyl)carbonyl]piperazine | - |
Mycobacterium tuberculosis | |
| 1.3.1.9 | 1-(9H-fluoren-9-yl)-4-(phenylcarbonyl)piperazine | - |
Mycobacterium tuberculosis | |
| 1.3.1.9 | 1-(9H-fluoren-9-yl)-4-[(4-methylphenyl)carbonyl]piperazine | - |
Mycobacterium tuberculosis | |
| 1.3.1.9 | 1-(cyclohexylmethyl)-4-(phenylcarbonyl)piperazine | - |
Mycobacterium tuberculosis | |
| 1.3.1.9 | 1-cyclohexyl-4-(phenylcarbonyl)piperazine | - |
Mycobacterium tuberculosis | |
| 1.3.1.9 | 1-cyclohexyl-4-[(3,4-dichlorophenyl)carbonyl]piperazine | - |
Mycobacterium tuberculosis | |
| 1.3.1.9 | 1-cyclohexyl-4-[(4-methylphenyl)carbonyl]piperazine | - |
Mycobacterium tuberculosis | |
| 1.3.1.9 | 1-[(3,4-dimethylphenyl)carbonyl]-4-[3-(trifluoromethyl)cyclohexyl]piperazine | - |
Mycobacterium tuberculosis | |
| 1.3.1.9 | 1-[(3-chlorophenyl)carbonyl]-4-(cyclohexylmethyl)piperidine | - |
Mycobacterium tuberculosis | |
| 1.3.1.9 | 1-[(3-methylphenyl)carbonyl]-4-(4-nitrocyclohexyl)piperazine | - |
Mycobacterium tuberculosis | |
| 1.3.1.9 | 1-[(4-methylphenyl)carbonyl]-4-[3-(trifluoromethyl)cyclohexyl]piperazine | - |
Mycobacterium tuberculosis | |
| 1.3.1.9 | 1-[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-1-yl]ethanone | - |
Mycobacterium tuberculosis | |
| 1.3.1.9 | 1-[bis(4-fluorophenyl)methyl]-4-(phenylcarbonyl)piperazine | - |
Mycobacterium tuberculosis | |
| 1.3.1.9 | 1-[bis(4-fluorophenyl)methyl]-4-[(4-methylphenyl)carbonyl]piperazine | - |
Mycobacterium tuberculosis | |
| 1.3.1.9 | 4-(cyclohexylmethyl)-1-[(2-fluorophenyl)carbonyl]piperidine | - |
Mycobacterium tuberculosis | |
| 1.3.1.9 | 4-(cyclohexylmethyl)-1-[(3-methylphenyl)carbonyl]piperidine | - |
Mycobacterium tuberculosis | |
| 1.3.1.9 | 4-(cyclohexylmethyl)-1-[(4-methylphenyl)carbonyl]piperidine | - |
Mycobacterium tuberculosis | |
| 1.3.1.9 | 5-([4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]carbonyl)-1H-indole | - |
Mycobacterium tuberculosis | |
| 1.3.1.9 | 5-[[4-(2,4,7-trichloro-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole | - |
Mycobacterium tuberculosis | |
| 1.3.1.9 | 5-[[4-(2,7-dibromo-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole | - |
Mycobacterium tuberculosis | |
| 1.3.1.9 | 5-[[4-(2,7-diiodo-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole | - |
Mycobacterium tuberculosis | |
| 1.3.1.9 | 5-[[4-(2-methoxy-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole | - |
Mycobacterium tuberculosis | |
| 1.3.1.9 | 5-[[4-(2-nitro-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole | - |
Mycobacterium tuberculosis | |
| 1.3.1.9 | 5-[[4-(3-nitro-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole | - |
Mycobacterium tuberculosis | |
| 1.3.1.9 | 5-[[4-(4-methoxy-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole | - |
Mycobacterium tuberculosis | |
| 1.3.1.9 | 5-[[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole | - |
Mycobacterium tuberculosis | |
| 1.3.1.9 | 9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-N,N-dimethyl-9H-fluoren-2-amine | - |
Mycobacterium tuberculosis | |
| 1.3.1.9 | Genz10850 | - |
Mycobacterium tuberculosis | |
| 1.3.1.9 | isoniazid | - |
Mycobacterium tuberculosis | |
| 1.3.1.9 | N-[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-2-yl]benzamide | - |
Mycobacterium tuberculosis | |
| 1.3.1.9 | N-[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-2-yl]butanamide | - |
Mycobacterium tuberculosis | |
| 1.3.1.9 | N-[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-2-yl]formamide | - |
Mycobacterium tuberculosis | |
| 1.3.1.9 | [9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-2-yl]carbamic acid | - |
Mycobacterium tuberculosis | |
Organism
| EC Number | Organism | UniProt | Comment | Textmining |
|---|---|---|---|---|
| 1.3.1.9 | Mycobacterium tuberculosis | P9WGR1 | - |
- |
| 1.3.1.9 | Mycobacterium tuberculosis H37Rv | P9WGR1 | - |
- |
Synonyms
| EC Number | Synonyms | Comment | Organism |
|---|---|---|---|
| 1.3.1.9 | enoyl acyl carrier protein reductase | - |
Mycobacterium tuberculosis |
| 1.3.1.9 | MtENR | - |
Mycobacterium tuberculosis |
Cofactor
| EC Number | Cofactor | Comment | Organism | Structure |
|---|---|---|---|---|
| 1.3.1.9 | NADH | - |
Mycobacterium tuberculosis | |
IC50 Value
| EC Number | IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
|---|---|---|---|---|---|---|
| 1.3.1.9 | 0.00009 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 1-(9H-fluoren-9-yl)-4-(phenylcarbonyl)piperazine | |
| 1.3.1.9 | 0.00012 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 5-[[4-(2,7-dibromo-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole | |
| 1.3.1.9 | 0.00013 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 5-[[4-(2-nitro-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole | |
| 1.3.1.9 | 0.00013 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 5-[[4-(3-nitro-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole | |
| 1.3.1.9 | 0.00013 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 5-[[4-(2,7-diiodo-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole | |
| 1.3.1.9 | 0.00016 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 5-[[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole | |
| 1.3.1.9 | 0.00017 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 5-[[4-(2,4,7-trichloro-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole | |
| 1.3.1.9 | 0.00018 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | N-[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-2-yl]formamide | |
| 1.3.1.9 | 0.00028 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | [9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-2-yl]carbamic acid | |
| 1.3.1.9 | 0.00034 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 1-[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-1-yl]ethanone | |
| 1.3.1.9 | 0.0004 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 1-(9H-fluoren-9-yl)-4-[(4-methylphenyl)carbonyl]piperazine | |
| 1.3.1.9 | 0.00046 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | N-[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-2-yl]butanamide | |
| 1.3.1.9 | 0.00052 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 5-[[4-(2-methoxy-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole | |
| 1.3.1.9 | 0.00052 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 5-[[4-(4-methoxy-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole | |
| 1.3.1.9 | 0.00059 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | N-[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-2-yl]benzamide | |
| 1.3.1.9 | 0.00091 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-N,N-dimethyl-9H-fluoren-2-amine | |
| 1.3.1.9 | 0.00099 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 1-(3-chlorocyclohexyl)-4-[(3,4-dimethylphenyl)carbonyl]piperazine | |
| 1.3.1.9 | 0.00104 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 5-([4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]carbonyl)-1H-indole | |
| 1.3.1.9 | 0.00185 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 1-[(3,4-dimethylphenyl)carbonyl]-4-[3-(trifluoromethyl)cyclohexyl]piperazine | |
| 1.3.1.9 | 0.00189 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 1-[bis(4-fluorophenyl)methyl]-4-[(4-methylphenyl)carbonyl]piperazine | |
| 1.3.1.9 | 0.00204 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 1-[bis(4-fluorophenyl)methyl]-4-(phenylcarbonyl)piperazine | |
| 1.3.1.9 | 0.00307 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 1-(3-chlorocyclohexyl)-4-[(4-methylphenyl)carbonyl]piperazine | |
| 1.3.1.9 | 0.00516 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 4-(cyclohexylmethyl)-1-[(4-methylphenyl)carbonyl]piperidine | |
| 1.3.1.9 | 0.00605 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 1-(3-chlorocyclohexyl)-4-[(3,4-dichlorophenyl)carbonyl]piperazine | |
| 1.3.1.9 | 0.00626 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 1-[(4-methylphenyl)carbonyl]-4-[3-(trifluoromethyl)cyclohexyl]piperazine | |
| 1.3.1.9 | 0.00673 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 1-(3-chlorocyclohexyl)-4-[(3-chlorophenyl)carbonyl]piperazine | |
| 1.3.1.9 | 0.00739 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 4-(cyclohexylmethyl)-1-[(3-methylphenyl)carbonyl]piperidine | |
| 1.3.1.9 | 0.00774 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 1-[(3-chlorophenyl)carbonyl]-4-(cyclohexylmethyl)piperidine | |
| 1.3.1.9 | 0.00943 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 1-(3-chlorocyclohexyl)-4-[(3-methylphenyl)carbonyl]piperazine | |
| 1.3.1.9 | 0.00974 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 1-(3-chlorocyclohexyl)-4-[(4-fluorophenyl)carbonyl]piperazine | |
| 1.3.1.9 | 0.01387 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 1-(3-chlorocyclohexyl)-4-[(2-fluorophenyl)carbonyl]piperazine | |
| 1.3.1.9 | 0.01411 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 4-(cyclohexylmethyl)-1-[(2-fluorophenyl)carbonyl]piperidine | |
| 1.3.1.9 | 0.01547 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 1-[(3-methylphenyl)carbonyl]-4-(4-nitrocyclohexyl)piperazine | |
| 1.3.1.9 | 0.01664 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 1-cyclohexyl-4-[(4-methylphenyl)carbonyl]piperazine | |
| 1.3.1.9 | 0.01762 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 1-cyclohexyl-4-[(3,4-dichlorophenyl)carbonyl]piperazine | |
| 1.3.1.9 | 0.0315 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 1-(cyclohexylmethyl)-4-(phenylcarbonyl)piperazine | |
| 1.3.1.9 | 0.03886 | - |
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders | Mycobacterium tuberculosis | 1-cyclohexyl-4-(phenylcarbonyl)piperazine | |
Use of this online version of BRENDA is free under the CC BY 4.0 license. See terms of use for full details.
Release 2023.1 (January 2023)
Legal
Curated at
Member of
