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Ligand · XCV

XCV · N-[(1R)-1-(5-cyano-1H-pyrazol-3-yl)ethyl]-3-methyl-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1H-pyrrole-2-carboxamide

XCV, N-[(1R)-1-(5-cyano-1H-pyrazol-3-yl)ethyl]-3-methyl-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1H-pyrrole-2-carboxamide (C21 H19 F3 N6 O, 428.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
XCV
Formula
C21 H19 F3 N6 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

XCV in 2 structures; the first of them:

  • 7L01 · Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with… · XCV A1001 · binds PHE171, LEU172, CYS175, LEU176, GLY181, GLU182, CYS184, HIS185 and 15 more
  • 7L01 · Crystal structure of plasmodium falciparum dihydroorotate dehydrogenase bound with… · XCV A1001 · binds PHE171, LEU172, CYS175, GLY181, GLU182, CYS184, HIS185, LEU187 and 12 more

Residues it binds most

LEU 4, GLY 4, PHE 4, CYS 4, ILE 4, ARG 4, GLU 4, HIS 4, LYS 4, MET 4 (residue and the binding sites it lines).

Found with

  • FMN · Flavin mononucleotide
  • ORO · Orotic acid

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