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Ligand · AW1

AW1 · 5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine

AW1, 5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine (C27 H40 N8 O4, 540.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
AW1
Formula
C27 H40 N8 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

AW1 in 2 structures; the first of them:

  • 4ER0 · Crystal Structure of human DOT1L in complex with inhibitor FED1 · AW1 A501 · binds LEU143, VAL144, MET147, ASP161, LEU162, GLY163, SER164, GLY165 and 19 more
  • 4ER0 · Crystal structure of human DOT1L in complex with inhibitor FED1 · AW1 A501 · binds LEU143, VAL144, MET147, ASP161, LEU162, GLY163, SER164, GLY165 and 19 more

Residues it binds most

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

Found with

  • UNX · Unknown atom or ion

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