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Ligand · H7B

H7B · 2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone

H7B, 2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone (C27 H31 Cl N6 O2, 507.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
H7B
Formula
C27 H31 Cl N6 O2
Class
ligand
Structures
2
PDB entries
2

Binding sites

H7B in 2 structures; the first of them:

  • 6I7X · Crystal structure of the first bromodomain of BRD4 in complex with RT53 · H7B A204 · binds TRP81, PRO82, PHE83, LEU92, LEU94, TYR139, ASN140, ASP145 and 2 more
  • 6I80 · Crystal structure of the second bromodomain of BRD2 in complex with RT53 · H7B A501 · binds TRP370, PRO371, PHE372, VAL376, LEU383, CYS425, TYR428, ASN429 and 5 more

Residues it binds most

LEU 3, PRO 3, VAL 2, ASN 3, ASP 3, MET 3, PHE 3, TRP 3, TYR 3, CYS 2 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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