CRYSTAL STRUCTURE OF INHA BOUND TO TRICLOSAN DERIVATIVE 17
PDB id Source Resolution
3FNE 1.98 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
(click picture
to launch)		 Chemaxon
Viewer		 Molecular
Weight
(Da)		 Formula SMILES
8PC Valid ic50 =  29.0 nM   launch gocavviewer-lite   346.207
C18 H13 Cl2 N O2
 c1ccnc(c1)Cc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl
NAD Valid submit data   launch gocavviewer-lite   663.425
C21 H27 N7 O14 P2
 c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N

TRICLOSAN DERIVATIVES: TOWARDS POTENT INHIBITORS OF DRUG-SENSITIVE AND DRUG-RESISTANT MYCOBACTERIUM TUBERCULOSIS. CHEMMEDCHEM V. 4 241 2009

More Information
External References
PDB
Pubmed
Biounit Downloads
This PDB
This Family
This Class
Comma Separated Files
This PDB
This Family
This Class
Download BindingMOAD
90% Homology Family

The Class containing this family consists of a total of 11 families.
Leader:    2IDZ
CRYSTAL STRUCTURE OF WILD TYPE ENOYL-ACP(COA)
REDUCTASE FROM MYCOBACTERIUM TUBERCULOSIS IN
COMPLEX WITH NADH-INH
PDB id Binding data Representative ligand
2IDZ Kd < 0.4 nM ZID
1ENY   NAD
2AQ8 Kd = 2.5 uM NAH
2AQH Kd = 14.9 uM NAH
2AQI Kd = 32.0 uM NAH
2AQK Kd = 23.0 uM NAH
2B35 Ki = 0.22 uM TCL
2H7I ic50 = 10.66 uM 566
2H7L ic50 = 0.89 uM 665
2H7M ic50 = 0.39 uM 641
2H7N ic50 = 0.97 uM 744
2H7P ic50 = 23.12 uM 468
2H9I   EAD
2IE0   ZID
2IEB   ZID
2NSD ic50 = 5.16 uM 4PI
2NTJ Ki = 2.0 nM P1H
2NTV Ki = 11.0 nM P1H
2NV6 ic50 = 323.0 nM ZID
2PR2 Ki = 130.0 nM DG1
2X22 Ki = 7.8 nM TCU
2X23 Ki = 7.8 nM TCU
3FNE ic50 = 29.0 nM 8PC
3FNF ic50 = 51.0 nM JPM
3FNG ic50 = 110.0 nM JPL
3OEW Kd = 1.5 uM NAD
3OEY Kd = 3.5 uM NAD
3OF2 Kd = 4.7 uM NAD