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Ligand · A1IB8

A1IB8 · 6-(4-cyclopropyl-6-methoxy-pyrimidin-5-yl)-1-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine

A1IB8, 6-(4-cyclopropyl-6-methoxy-pyrimidin-5-yl)-1-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine (C27 H25 F3 N8 O, 534.5 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB…

Component
A1IB8
Formula
C27 H25 F3 N8 O
Class
ligand
Structures
1
PDB entries
1

Binding sites

A1IB8 in 1 structure; the first of them:

  • 9FCI · USP1 bound to KSQ-4279 and ubiquitin conjugated to FANCD2 (focused refinement) · A1IB8 D802 · binds LEU96, GLN97, TYR100, PHE101, LEU152, VAL156, GLN160, PRO178 and 8 more

Residues it binds most

VAL 1, LEU 1, GLN 1, PHE 1, ASP 1, GLU 1, PRO 1, SER 1, TYR 1 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion

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