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Ligand · X50

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

X50, (3R,4R)-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
X50
Formula
C22 H30 N6 O2
Class
ligand
Structures
1
PDB entries
1

Binding sites

X50 in 1 structure; the first of them:

  • 8P73 · Cryo-EM structure of CAK in complex with inhibitor ICEC0829 · X50 J401 · 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

  • X58 · (3S,4S)-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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