CRYSTAL STRUCTURE OF HUMAN 11-BETA-HYDROXYSTEROID DEHYDROGEN (11B-HSD1) IN COMPLEX WITH 4,4-DISUBSTITUTED CYCLOHEXYLBENZI NHIBITOR
PDB id Source Resolution
3PDJ 2.3 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
(click picture
to launch)		 Chemaxon
Viewer		 Molecular
Weight
(Da)		 Formula SMILES
NAP Valid submit data   launch gocavviewer-lite   743.405
C21 H28 N7 O17 P3
 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)OP(=O)(O)O)O)O)O)C(=O)N
3PJ Valid ic50 =  14.0 nM   launch gocavviewer-lite   502.568
C28 H33 F3 N2 O3
 C[C@](c1ccc(cc1)C(=O)N(C2CC2)C3CCC(CC3)(CCC(=O)N)c4ccccc4)(C(F)(F)F)O

SYNTHESIS AND OPTIMIZATION OF NOVEL 4,4-DISUBSTITUT CYCLOHEXYLBENZAMIDE DERIVATIVES AS POTENT 11BETA-HS INHIBITORS BIOORG.MED.CHEM.LETT. V. 21 405 2011

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 3 families.
Leader:    3CH6
CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT
(L262R, F278E) COMPLEXED WITH (3,3-DIMETHYLPIPERIDIN
-1-YL)(6-(3- F LUORO-4-METHYLPHENYL)PYRIDIN
-2-YL)METHANONE
PDB id Binding data Representative ligand
3CH6 ic50 = 0.1 nM 311
1XU7   NDP
1XU9   NDP
2BEL   CBO
2ILT Ki = 7.0 nM NN1
2RBE Ki = 17.0 nM ZMG
3BZU ic50 = 14.0 nM A21
3CZR ic50 = 3.0 nM 3CZ
3D4N   D4N
3FRJ ic50 = 167.0 nM A49
3H6K ic50 = 26.0 nM 33T
3HFG ic50 = 10.0 nM 17R
3PDJ ic50 = 14.0 nM 3PJ
3TFQ ic50 = 12.0 nM 07M