[FaD] Finished Query: 1OG5-Q1

[BitSpit]

This was also submitted as part of the weekly article but wasn't posted. We finished 1OG5-Q1 last week.

Query: 1OG5-Q1
Project: Methodology
Target: Cytochrome P450 (2C9)

Description:

The small family of cytochrome P450s play an essential role in the metabolism of certain drug
molecules by converting them to more soluble analogues enabling them to be excreted. In general,
drugs that are rapidly metabolised and excreted need to be used in higher doses while molecules
than inhibit P450s may cause side-effects or unexpected complications when used with other drug
molecules.

We plan to process a series of P450s as their crystal structure become available. Initially we
are checking for strong inhibitors but with THINK v1.22 we will also be able to predict whether
a molecule is likely to be metabolised by P450.

Total Molecules: 39,878,405
Total Hits: 92,700
Total CPU Time: 4:357:19:30:20 (y:d:h:m:s)