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Ligand · P7N

P7N · ~{N}-methyl-~{N}-[3-[[[2-[(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)amino]-5-(trifluoromethyl) pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide

P7N, ~{N}-methyl-~{N}-[3-[[[2-[(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)amino]-5-(trifluoromethyl) pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide (C22 H22 F3 N7 O3 S, 521.5 g/mol), in the MolNFT structures on…

Component
P7N
Formula
C22 H22 F3 N7 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

P7N in 2 structures; the first of them:

  • 6YQ1 · FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH… · P7N A701 · binds ARG426, ILE428, GLY429, GLU430, VAL436, GLN438, ALA452, VAL484 and 16 more
  • 6YQ1 · Focal adhesion kinase catalytic domain in complex with N-methyl-N-(3… · P7N A701 · binds ARG426, ILE428, GLY429, GLU430, VAL436, GLN438, ALA452, VAL484 and 16 more

Residues it binds most

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

Found with

  • NA · Sodium ion
  • SO4 · Sulfate ion

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