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Ligand · 8BI

8BI · (1R,2R)-2,4,4-trimethyl-N-[(1H-pyrazol-3-yl) methyl]cyclopentan-1-amine

8BI, (1R,2R)-2,4,4-trimethyl-N-[(1H-pyrazol-3-yl) methyl]cyclopentan-1-amine (C12 H21 N3, 207.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
8BI
Formula
C12 H21 N3
Class
ligand
Structures
2
PDB entries
1

Binding sites

8BI in 2 structures; the first of them:

  • 5SBY · CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex… · 8BI A201 · binds ARG33, PHE38, PHE60, ASN61, ASN125, ASP133, THR135, SER136 and 3 more
  • 5SBY · CD44 pandda analysis group deposition -- the hyaluronan-binding domain of CD44 in complex… · 8BI A201 · binds ARG33, PHE38, PHE60, ASN125, ASP133, THR135, SER136, VAL137 and 1 more

Residues it binds most

PHE 2, ASN 2, THR 2, ARG 2, ASP 2, PRO 2, SER 2, VAL 2 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol
  • PEG · Di(hydroxyethyl)ether

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