Ligand · CR9
CR9 · 2-{5-[amino(iminio)methyl]-6-fluoro-1H-benzimidazol-2-yl}-6-[(2-methylcyclohexyl)oxy]benzenolate
CR9, 2-{5-[amino(iminio)methyl]-6-fluoro-1H-benzimidazol-2-yl}-6-[(2-methylcyclohexyl)oxy]benzenolate (C21 H23 F N4 O2, 382.4 g/mol), in the MolNFT structures on GenesisL1: bound in 10 records (5 PDB entries). Every binding site with its…
- Component
- CR9
- Formula
- C21 H23 F N4 O2
- Class
- ligand
- Structures
- 10
- PDB entries
- 5
Binding sites
CR9 in 10 structures; the first of them:
- 1O2R · Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active… · CR9 A246 · binds PHE41, CYS42, HIS57, ASP189, SER190, CYS191, GLN192, SER195 and 10 more
- 1O5C · Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an… · CR9 B251 · binds VAL41, CYS42, HIS57, CYS58, ASP189, ALA190, CYS191, GLN192 and 9 more
- 1O5D · Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an… · CR9 H258 · binds LEU41, CYS42, HIS57, CYS58, ASP60, LYS60A, ASP189, SER190 and 12 more
- 1O5F · Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an… · CR9 H256 · binds LEU41, CYS42, HIS57, CYS58, PRO60, ASP189, ALA190, CYS191 and 11 more
- 1O5G · Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an… · CR9 H393 · binds LEU41, CYS42, HIS57, CYS58, TYR60A, TRP60D, LYS60F, PHE60H and 12 more
- 1O2R · Elaborate manifold of short hydrogen bond arrays mediating binding of active… · CR9 A246 · binds PHE41, CYS42, HIS57, ASP189, SER190, CYS191, GLN192, SER195 and 10 more
- 1O5C · Dissecting and designing inhibitor selectivity determinants at the S1 site using an… · CR9 B251 · binds VAL41, CYS42, HIS57, CYS58, ASP189, ALA190, CYS191, GLN192 and 9 more
- 1O5D · Dissecting and designing inhibitor selectivity determinants at the S1 site using an… · CR9 H258 · binds LEU41, CYS42, HIS57, CYS58, ASP60, LYS60A, ASP189, SER190 and 12 more
- 1O5F · Dissecting and designing inhibitor selectivity determinants at the S1 site using an… · CR9 H256 · binds LEU41, CYS42, HIS57, CYS58, PRO60, ASP189, ALA190, CYS191 and 11 more
- 1O5G · Dissecting and designing inhibitor selectivity determinants at the S1 site using an… · CR9 H393 · binds LEU41, CYS42, HIS57, CYS58, TYR60A, TRP60D, LYS60F, PHE60H and 12 more
Residues it binds most
CYS 10, GLY 10, SER 10, VAL 10, ASP 10, TRP 10, HIS 10, GLN 8, ALA 6, LEU 6 (residue and the binding sites it lines).
Found with
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