4,4'-DIHYDROXYBENZOPHENONE MIMICS STEROL SUBSTRATE IN THE BINDING SITE OF STEROL 14ALPHA-DEMETHYLASE (CYP51) IN THE X -RAY STRUCTURE OF THE COMPLEX
PDB id Source Resolution
2VKU 1.95 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
(click picture
to launch)		 Chemaxon
Viewer		 Molecular
Weight
(Da)		 Formula SMILES
DBE Valid Kd =  29.5 uM More atoms than expected were found for ligand in PDB. % Diff = 2.0  launch gocavviewer-lite   214.217
C13 H10 O3
 c1cc(ccc1C(=O)c2ccc(cc2)O)O
SO4 Invalid            

X-RAY STRUCTURE OF 4,4'-DIHYDROXYBENZOPHENONE MIMICKING STEROL SUBSTRATE IN THE ACTIVE SITE OF STEROL 14ALPHA-DEMETHYLASE (CYP51) J.BIOL.CHEM. V. 283 15152 2008

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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