Ligand · X42

X42 · 4-{[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide

X42, 4-{[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide (C16 H13 F N4 O3 S2, 392.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å…

Component: X42
Formula: C16 H13 F N4 O3 S2
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

X42 in 2 structures; the first of them:

3QTZ · CDK2 in complex with inhibitor RC-2-36 · X42 A453 · binds ILE10, GLY13, VAL18, ALA31, LYS33, VAL64, PHE80, GLU81 and 10 more
3QTZ · CDK2 in complex with inhibitor rc-2-36 · X42 A453 · binds ILE10, GLY13, VAL18, ALA31, LYS33, VAL64, PHE80, GLU81 and 10 more

Residues it binds most

ALA 2, ASP 2, GLN 2, LEU 2, LYS 2, PHE 2, VAL 2, GLU 2, GLY 2, HIS 2 (residue and the binding sites it lines).

Found with

EDO · 1,2-ethanediol

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