Ligand · 1ST

1ST · (5S,6R,7R,9R)-12-hydroxy-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9-tetrahydro-5H,14H-5,9-epoxy-4B,9A,15-triazadibenzo[ b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one

1ST, (5S,6R,7R,9R)-12-hydroxy-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9-tetrahydro-5H,14H-5,9-epoxy-4B,9A,15-triazadibenzo[ b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one (C28 H24 N4 O4, 480.5 g/mol), in the MolNFT structures…

Component: 1ST
Formula: C28 H24 N4 O4
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

1ST in 2 structures; the first of them:

2HY8 · PAK1 complex with ST2001 · 1ST 1201 · binds ILE276, GLY277, GLN278, GLY279, SER281, VAL284, ALA297, ARG299 and 14 more
2HY8 · PAK1 complex with ST2001 · 1ST 1201 · binds ILE276, GLY277, GLN278, GLY279, SER281, VAL284, ALA297, ARG299 and 14 more

Residues it binds most

GLY 2, ALA 2, ASP 2, GLU 2, LEU 2, SER 2, VAL 2, ARG 2, ASN 2, GLN 2 (residue and the binding sites it lines).

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