Submission Details

HOL-KAN-bccba850
Molecule(s):
CC12C=CC(=O)C=C1CCC1(N)C2CCC2(C)C1CCC2(O)C(=O)CO

HOL-KAN-bccba850-1

CC12C=CC(=O)C=C1CCC1(N)C2CCC2(C)C1CCC2(O)C(=O)CO

CC12C=CC(=O)C=C1CCC1(N)C2C(O)CC2(C)C1CCC2(O)C(=O)CO

HOL-KAN-bccba850-2

CC12C=CC(=O)C=C1CCC1(N)C2C(O)CC2(C)C1CCC2(O)C(=O)CO

Design Rationale:

Use fragments to identify pharmacophores. Pharmacophore search followed by docking.

Other Notes:

chemically similar to glucocorticoids

Inspired By:
Discussion:

Contributor: Ho Leung Ng, Kansas State University - Thu, 02 Apr 2020 04:59:03 +0000