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Ligand · 10Q

10Q · 2-{(2E,4aR,7aR)-7a-[4-(3-cyanophenyl)thiophen-2-yl]-2-imino-3-methyl-4-oxooctahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}pyridine-3-carbonitrile

10Q, 2-{(2E,4aR,7aR)-7a-[4-(3-cyanophenyl)thiophen-2-yl]-2-imino-3-methyl-4-oxooctahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}pyridine-3-carbonitrile (C24 H19 N7 O S, 453.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
10Q
Formula
C24 H19 N7 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

10Q in 2 structures; the first of them:

  • 4H3G · Structure of BACE Bound to 2-((7aR)-7a-(4-(3-cyanophenyl)thiophen-2-yl)-2-imino-3-methyl-4… · 10Q A502 · binds SER71, GLY72, GLN73, GLY74, LEU91, ASP93, GLY95, SER96 and 13 more
  • 4H3G · Structure of bace bound to 2-((7AR)-7A-(4-(3-CYANOPHENYL)THIOPHEN-2… · 10Q A502 · binds SER71, GLY72, GLN73, GLY74, LEU91, ASP93, GLY95, SER96 and 13 more

Residues it binds most

GLY 4, SER 4, ASP 4, ILE 4, THR 4, TRP 4, GLN 4, ARG 4, LEU 4, PHE 4 (residue and the binding sites it lines).

Found with

  • TLA · L(+)-tartaric acid

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