Ligand · KCE

KCE · [(1~{S},2~{R})-1-[1-(1,3-benzodioxol-5-ylmethyl)-1,2,3, 4-tetrazol-5-yl]-3-(4-~{tert}-butylphenyl)-2-methyl-propyl]diazane

KCE, [(1~{S},2~{R})-1-[1-(1,3-benzodioxol-5-ylmethyl)-1,2,3, 4-tetrazol-5-yl]-3-(4-~{tert}-butylphenyl)-2-methyl-propyl]diazane (C23 H30 N6 O2, 422.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component: KCE
Formula: C23 H30 N6 O2
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

KCE in 2 structures; the first of them:

6RON · Endothiapepsin in complex with compound 046 · KCE A401 · binds ASP33, ASP35, GLY37, SER38, TYR79, GLY80, ASP81, SER83 and 11 more
6RON · Endothiapepsin in complex with compound 046 · KCE A401 · binds ASP33, ASP35, GLY37, TYR79, GLY80, ASP81, SER83, SER115 and 9 more

Residues it binds most

ASP 2, GLY 2, ILE 2, SER 2, TYR 2, PHE 2, THR 2, LEU 1 (residue and the binding sites it lines).

Found with

DMS · Dimethyl sulfoxide
GOL · Glycerol

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