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Ligand · D99

D99 · (3R)-1-{4-[{4-chloro-2-[(S)-(2-chlorophenyl)(hydroxy)methyl]phenyl}(2,2-dimethylpropyl)amino]-4-oxobutanoyl}piperidine-3-carboxylic acid

D99, (3R)-1-{4-[{4-chloro-2-[(S)-(2-chlorophenyl)(hydroxy)methyl]phenyl}(2,2-dimethylpropyl)amino]-4-oxobutanoyl}piperidine-3-carboxylic acid (C28 H34 Cl2 N2 O5, 549.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
D99
Formula
C28 H34 Cl2 N2 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

D99 in 2 structures; the first of them:

  • 3ASX · Human Squalene synthase in complex with 1-{4-[{4-chloro-2-[(2-chlorophenyl)(hydroxy)methyl… · D99 A1 · binds SER51, ARG52, SER53, PHE54, TYR73, LEU76, VAL175, ALA176 and 11 more
  • 3ASX · Human squalene synthase in complex with 1-{4-[{4-chloro-2-[(2… · D99 A1 · binds SER51, ARG52, SER53, PHE54, TYR73, LEU76, VAL175, ALA176 and 11 more

Residues it binds most

LEU 2, GLY 2, PHE 2, SER 2, VAL 2, ALA 2, ARG 2, CYS 2, GLN 2, ILE 2 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion

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