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Ligand · 5JJ

5JJ · N~6~-(2,6-dichlorophenyl)-N~6~-(pent-2-yn-1-yl) quinoline-4,6-diamine

5JJ, N~6~-(2,6-dichlorophenyl)-N~6~-(pent-2-yn-1-yl) quinoline-4,6-diamine (C20 H17 Cl2 N3, 370.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
5JJ
Formula
C20 H17 Cl2 N3
Class
ligand
Structures
4
PDB entries
2

Binding sites

5JJ in 4 structures; the first of them:

  • 5MVS · Crystal structure of Dot1L in complex with adenosine and inhibitor CPD1… · 5JJ A402 · binds PRO130, PHE131, TYR136, THR139, SER140, LEU143, VAL144, MET147 and 10 more
  • 5MW3 · Crystal structure of Dot1L in complex with inhibitor CPD1… · 5JJ A401 · binds PRO130, PHE131, TYR136, THR139, SER140, LEU143, VAL144, MET147 and 10 more
  • 5MVS · Crystal structure of DOT1L in complex with adenosine and inhibitor CPD1… · 5JJ A402 · binds PHE131, THR139, SER140, LEU143, VAL144, PHE239, VAL240, ASN241 and 6 more
  • 5MW3 · Crystal structure of DOT1L in complex with inhibitor CPD1 [N6-(2,6… · 5JJ A401 · binds PHE131, THR139, SER140, LEU143, VAL144, VAL169, PHE239, VAL240 and 7 more

Residues it binds most

VAL 8, SER 8, PHE 8, TYR 8, ASN 8, LEU 8, THR 7, MET 5, PRO 4 (residue and the binding sites it lines).

Found with

  • TLA · L(+)-tartaric acid
  • 5JT · (3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine
  • ADN · Adenosine

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