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Ligand · H7Q

H7Q · 5'-(cyclopropylmethoxy)-6'-[3-(1,3-dihydroisoindol-2-yl)propoxy]spiro[cyclopentane-1,3'-indole]-2'-amine

H7Q, 5'-(cyclopropylmethoxy)-6'-[3-(1,3-dihydroisoindol-2-yl)propoxy]spiro[cyclopentane-1,3'-indole]-2'-amine (C27 H33 N3 O2, 431.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
H7Q
Formula
C27 H33 N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

H7Q in 2 structures; the first of them:

  • 6I8L · Crystal structure of Spindlin1 in complex with the inhibitor TD001851a · H7Q B304 · binds ASP95, HIS139, MET140, PHE141, GLU142, TRP151, TYR170, TYR177 and 2 more
  • 6I8L · Crystal structure of SPINDLIN1 in complex with the inhibitor TD001851A · H7Q B304 · binds ASP95, HIS139, PHE141, GLU142, TRP151, TYR170, TYR177, TYR179 and 1 more

Residues it binds most

TYR 2, ASP 2, GLU 2, HIS 2, PHE 2, TRP 2, MET 1 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • DMS · Dimethyl sulfoxide
  • MPD · (4S)-2-methyl-2,4-pentanediol
  • MRD · (4R)-2-methylpentane-2,4-diol

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