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Ligand · 1K0

1K0 · 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one

1K0, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one (C20 H22 N2 O5, 370.4 g/mol), in the MolNFT structures on GenesisL1: bound in 12 records (6 PDB entries). Every binding site with its residues within 4.5 Å…

Component
1K0
Formula
C20 H22 N2 O5
Class
ligand
Structures
12
PDB entries
6

Binding sites

1K0 in 12 structures; the first of them:

  • 4J1P · X-ray crystal structure of bromodomain 2 of human brd2 in complex with rvx208 to 1.08 A… · 1K0 A501 · binds TRP370, PRO371, PHE372, VAL376, LEU381, LEU383, TYR386, CYS425 and 4 more
  • 4J3I · X-ray crystal structure of bromodomain complex to 1.24 A resolution · 1K0 A201 · binds TRP81, PRO82, PHE83, VAL87, LEU92, LEU94, TYR97, TYR139 and 3 more
  • 4MR3 · Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazoli… · 1K0 A202 · binds TRP81, PRO82, PHE83, GLN85, VAL87, LEU92, LEU94, TYR97 and 3 more
  • 4MR4 · Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazoli… · 1K0 A204 · binds TRP81, PRO82, PHE83, VAL87, LEU92, LEU94, TYR97, TYR139 and 2 more
  • 4MR5 · Crystal Structure of the second bromodomain of human BRD2 in complex with a quinazoli… · 1K0 A506 · binds TRP370, PRO371, PHE372, VAL376, LEU381, LEU383, TYR386, TYR428 and 4 more
  • 4MR6 · Crystal Structure of the second bromodomain of human BRD2 in complex with a quinazoli… · 1K0 A505 · binds TRP370, PRO371, PHE372, VAL376, LEU381, LEU383, TYR386, TYR428 and 4 more
  • 4J1P · X-ray crystal structure of bromodomain 2 of human BRD2 in complex with RVX208 to 1.08 a… · 1K0 A501 · binds TRP370, PRO371, PHE372, VAL376, LEU381, LEU383, TYR386, CYS425 and 4 more
  • 4J3I · X-ray crystal structure of bromodomain complex to 1.24 a resolution · 1K0 A201 · binds TRP81, PRO82, PHE83, VAL87, LEU92, LEU94, TYR97, TYR139 and 3 more
  • 4MR3 · Crystal structure of the first bromodomain of human BRD4 in complex with a quinazolinone… · 1K0 A202 · binds TRP81, PRO82, PHE83, GLN85, VAL87, LEU92, LEU94, TYR97 and 3 more
  • 4MR4 · Crystal structure of the first bromodomain of human BRD4 in complex with a quinazolinone… · 1K0 A204 · binds TRP81, PRO82, PHE83, VAL87, LEU92, LEU94, TYR97, TYR139 and 2 more
  • 4MR5 · Crystal structure of the second bromodomain of human BRD2 in complex with a quinazolinone… · 1K0 A506 · binds TRP370, PRO371, PHE372, VAL376, LEU381, LEU383, TYR386, TYR428 and 4 more
  • 4MR6 · Crystal structure of the second bromodomain of human BRD2 in complex with a quinazolinone… · 1K0 A505 · binds TRP370, PRO371, PHE372, VAL376, LEU381, LEU383, TYR386, TYR428 and 4 more

Residues it binds most

LEU 12, TYR 12, PRO 12, VAL 12, ASN 12, PHE 12, TRP 12, HIS 6, ILE 6, ASP 2 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • DMS · Dimethyl sulfoxide
  • NA · Sodium ion

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