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Ligand · X58

X58 · (3S,4S)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-3,4-diol

X58, (3S,4S)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-3,4-diol (C22 H30 N6 O2, 410.5 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site…

Component
X58
Formula
C22 H30 N6 O2
Class
ligand
Structures
1
PDB entries
1

Binding sites

X58 in 1 structure; the first of them:

  • 8P73 · Cryo-EM structure of CAK in complex with inhibitor ICEC0829 · X58 J402 · binds LEU18, VAL26, ALA39, LYS41, ILE75, PHE91, ASP92, PHE93 and 10 more

Residues it binds most

ASP 1, ALA 1, ASN 1, LEU 1, PHE 1, VAL 1, GLU 1, ILE 1, LYS 1, MET 1 (residue and the binding sites it lines).

Found with

  • X50 · (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-3,4-diol

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