Ligand · 53A

53A · ethyl 5-{[(1R)-1-(ethoxycarbonyl)-2-oxopropyl]sulfanyl}-1,2-dihydro[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate

53A, ethyl 5-{[(1R)-1-(ethoxycarbonyl)-2-oxopropyl]sulfanyl}-1,2-dihydro[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate (C18 H20 N4 O5 S, 404.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component: 53A
Formula: C18 H20 N4 O5 S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

53A in 2 structures; the first of them:

3GK4 · X-ray structure of bovine SBi523,Ca(2+)-S100B · 53A X94 · binds SER41, HIS42, PHE43, LEU44, GLU45
3GK4 · X-ray structure of bovine SBI523,CA(2+)-S100B · 53A X94 · binds SER41, HIS42, PHE43, LEU44, GLU45

Residues it binds most

GLU 2, HIS 2, LEU 2, PHE 2, SER 2 (residue and the binding sites it lines).

Found with

CA · Calcium ion

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