Ligand · 1Y1

1Y1 · 4-[4-({4'-chloro-3-[2-(dimethylamino)ethoxy]biphenyl-2-yl}methyl)piperazin-1-yl]-2-(1H-indol-5-yloxy)-N-({3-nitro-4-[(tetrahydro-2H-pyran-4-ylmethyl)amino]phenyl}sulfonyl)benzamide

1Y1, 4-[4-({4'-chloro-3-[2-(dimethylamino)ethoxy]biphenyl-2-yl}methyl)piperazin-1-yl]-2-(1H-indol-5-yloxy)-N-({3-nitro-4-[(tetrahydro-2H-pyran-4-ylmethyl)amino]phenyl}sulfonyl)benzamide (C48 H52 Cl N7 O8 S, 922.5 g/mol), in the MolNFT…

Component: 1Y1
Formula: C48 H52 Cl N7 O8 S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

1Y1 in 2 structures; the first of them:

4MAN · Bcl_2-Navitoclax Analog (with Indole) Complex · 1Y1 A301 · binds THR93, GLN96, ALA97, ASP100, PHE101, ARG104, TYR105, ASP108 and 16 more
4MAN · BCL_2-navitoclax analog (with indole) complex · 1Y1 A301 · binds THR93, GLN96, ALA97, ASP100, PHE101, ARG104, TYR105, ASP108 and 16 more

Residues it binds most

PHE 4, VAL 4, ALA 4, ARG 4, ASP 4, GLU 4, TYR 4, ASN 4, GLN 4, GLY 4 (residue and the binding sites it lines).

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