GL1X · GenesisL1 explorer

Ligand · YJS

YJS · 3-chloro-5-{7-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-3-methyl-4-oxo-4, 7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-hydroxybenzamide

YJS, 3-chloro-5-{7-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-3-methyl-4-oxo-4, 7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-hydroxybenzamide (C26 H25 Cl2 N7 O5, 586.4 g/mol), in the MolNFT structures on…

Component
YJS
Formula
C26 H25 Cl2 N7 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

YJS in 2 structures; the first of them:

  • 7LZS · Crystal structure of the BCL6 BTB domain in complex with OICR-11029 · YJS A201 · binds PHE11, HIS14, ASP17, VAL18, ASN21, ARG24, LEU25
  • 7LZS · Crystal structure of the BCL6 btb domain in complex with oicr-11029 · YJS A201 · binds PHE11, HIS14, ASP17, VAL18, ASN21, ARG24, LEU25

Residues it binds most

ARG 2, ASN 2, ASP 2, HIS 2, LEU 2, PHE 2, VAL 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide

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