HIGH THROUGHPUT SCREENING AND X-RAY CRYSTALLOGRAPHY ASSISTED EVALUATION OF SMALL MOLECULE SCAFFOLDS FOR CYP51 I NHIBITORS
PDB id Source Resolution
2CIB 1.5 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
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Viewer		 Molecular
Weight
(Da)		 Formula SMILES
CM6 Valid Kd =  7.2 uM   launch gocavviewer-lite   425.484
C19 H15 N5 O3 S2
 c1ccc(cc1)[C@@H](C(=O)Nc2ccncc2)NS(=O)(=O)c3cccc4c3nsn4

SMALL MOLECULE SCAFFOLDS FOR CYP51 INHIBITORS IDENTIFIED BY HIGH THROUGHPUT SCREENING AND DEFINED BY X-RAY CRYSTALLOGRAPHY ANTIMICROB.AGENTS CHEMOTHER. V. 51 3915 2007

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90% Homology Family

The Class containing this family consists of a total of 1 families.
Leader:    2CI0
HIGH THROUGHPUT SCREENING AND X-RAY CRYSTALLOGRAPHY
ASSISTED EVALUATION OF SMALL MOLECULE SCAFFOLDS
FOR CYP51 I NHIBITORS
PDB id Binding data Representative ligand
2CI0 Kd = 5.0 uM 1CM
1E9X   PIM
1X8V Kd = 100.0 uM ESL
2CIB Kd = 7.2 uM CM6
2VKU Kd = 29.5 uM DBE
2W09 Kd = 35.4 uM CM9
2W0A   CII
2W0B Kd = 58.3 uM CMW