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Ligand · EQK

EQK · N-[5-[2-(2-cyanopropan-2-yl)pyridin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxy-pyrimidine-5-carboxamide

EQK, N-[5-[2-(2-cyanopropan-2-yl)pyridin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxy-pyrimidine-5-carboxamide (C20 H17 F3 N6 O3 S, 478.4 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every…

Component
EQK
Formula
C20 H17 F3 N6 O3 S
Class
ligand
Structures
3
PDB entries
3

Binding sites

EQK in 3 structures; the first of them:

  • 7XJ0 · Structure of human TRPV3 in complex with Trpvicin · EQK B1406 · binds VAL596, PHE597, GLY600, PHE601, ALA604, PHE656, THR660, ILE663 and 8 more
  • 7XJ1 · Structure of human TRPV3_G573S in complex with Trpvicin in C2 symmetry · EQK B1602 · binds LEU635, THR636, ILE637, GLY638, VAL662, THR665, PHE666, LEU669 and 7 more
  • 7XJ2 · Structure of human TRPV3_G573S in complex with Trpvicin in C4 symmetry · EQK B1101 · binds LEU553, MET555, ALA556, LEU557, TRP559, ALA560, ILE583, VAL596 and 6 more

Residues it binds most

LEU 18, PHE 18, ALA 12, ILE 17, VAL 18, THR 16, GLY 15, TRP 12, MET 8, TYR 1 (residue and the binding sites it lines).

Found with

  • 6OU · [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate

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