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Ligand · GUI

GUI · 5-chloro-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-N'-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine

GUI, 5-chloro-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-N'-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine (C30 H40 Cl N7 O3 S, 614.2 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB…

Component
GUI
Formula
C30 H40 Cl N7 O3 S
Class
ligand
Structures
6
PDB entries
3

Binding sites

GUI in 6 structures; the first of them:

  • 2XB7 · Structure of Human Anaplastic Lymphoma Kinase in complex with NVP- TAE684 · GUI A1501 · binds LEU1122, GLY1123, HIS1124, GLY1125, ALA1126, VAL1130, ALA1148, LYS1150 and 14 more
  • 4E93 · Crystal structure of human Feline Sarcoma Viral Oncogene Homologue (v-FES)in complex with… · GUI A901 · binds ILE567, GLY568, ARG569, GLY570, VAL575, ALA588, LYS590, VAL620 and 13 more
  • 5JZN · Crystal structure of DCLK1-KD in complex with NVP-TAE684 · GUI A701 · binds ARG394, ILE396, GLY397, VAL404, GLU406, ALA417, LYS419, VAL449 and 13 more
  • 2XB7 · Structure of human anaplastic lymphoma kinase in complex with nvp- TAE684 · GUI A1501 · binds LEU1122, GLY1123, HIS1124, GLY1125, ALA1126, VAL1130, ALA1148, LYS1150 and 14 more
  • 4E93 · Crystal structure of human feline sarcoma viral oncogene homologue (V- FES)IN complex… · GUI A901 · binds ILE567, GLY568, ARG569, GLY570, VAL575, ALA588, LYS590, VAL620 and 13 more
  • 5JZN · Crystal structure of DCLK1-kd in complex with nvp-TAE684 · GUI A701 · binds ARG394, ILE396, GLY397, VAL404, GLU406, ALA417, LYS419, VAL449 and 13 more

Residues it binds most

GLY 8, ASP 8, LEU 8, VAL 8, GLU 8, ALA 8, ARG 8, LYS 8, ASN 8, MET 8 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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