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Ligand · DLI

DLI · (3R,4S)-1-{6-[3-(methylsulfonyl)phenyl]pyrimidin-4-yl}-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine

DLI, (3R,4S)-1-{6-[3-(methylsulfonyl)phenyl]pyrimidin-4-yl}-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine (C21 H19 F3 N4 O2 S, 448.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
DLI
Formula
C21 H19 F3 N4 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

DLI in 2 structures; the first of them:

  • 2OAG · Crystal structure of human dipeptidyl peptidase IV (DPPIV) with pyrrolidine-constrained… · DLI B4000 · binds ARG125, GLU205, GLU206, VAL207, SER209, PHE357, ARG358, TYR547 and 10 more
  • 2OAG · Crystal structure of human dipeptidyl peptidase IV (dppiv) with pyrrolidine-constrained… · DLI B4000 · binds ARG125, GLU205, GLU206, VAL207, SER209, PHE357, ARG358, TYR547 and 10 more

Residues it binds most

TYR 2, VAL 2, ARG 2, GLU 2, SER 2, ALA 2, ASN 2, HIS 2, PHE 2, TRP 2 (residue and the binding sites it lines).

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