Ligand · O38
O38 · 6-{[3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile
O38, 6-{[3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile (C24 H25 N7 O, 427.5 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with…
- Component
- O38
- Formula
- C24 H25 N7 O
- Class
- ligand
- Structures
- 6
- PDB entries
- 3
Binding sites
O38 in 6 structures; the first of them:
- 3WYX · CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH… · O38 A902 · binds ILE531, GLY532, VAL539, GLN541, ILE549, ALA551, LYS553, ILE586 and 14 more
- 5AP1 · Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug… · O38 A1796 · binds ILE531, GLY532, VAL539, GLN541, ALA551, LYS553, ILE586, MET602 and 13 more
- 5AP4 · Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug… · O38 A1795 · binds ILE531, GLY532, VAL539, GLN541, ALA551, LYS553, ILE586, MET602 and 12 more
- 3WYX · Crystal structure of human MPS1 catalytic domain in complex with 6… · O38 A902 · binds ILE531, GLY532, VAL539, GLN541, ILE549, ALA551, LYS553, ILE586 and 14 more
- 5AP1 · Naturally occurring mutations in the MPS1 gene predispose cells to kinase inhibitor drug… · O38 A1796 · binds ILE531, GLY532, VAL539, GLN541, ALA551, LYS553, ILE586, MET602 and 13 more
- 5AP4 · Naturally occurring mutations in the MPS1 gene predispose cells to kinase inhibitor drug… · O38 A1795 · binds ILE531, GLY532, VAL539, GLN541, ALA551, LYS553, ILE586, MET602 and 12 more
Residues it binds most
ILE 6, ALA 6, GLN 6, GLY 6, MET 6, ASN 6, ASP 6, CYS 6, GLU 6, LEU 6 (residue and the binding sites it lines).
Found with
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