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Ligand · MD7

MD7 · (2Z)-N-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide

MD7, (2Z)-N-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide (C19 H16 N2 O2, 304.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues…

Component
MD7
Formula
C19 H16 N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

MD7 in 2 structures; the first of them:

  • 3G0X · Human dihydroorotate dehydrogenase in complex with a leflunomide derivative inhibitor 5 · MD7 A2 · binds TYR38, MET43, LEU46, GLN47, PRO52, ALA55, HIS56, ALA59 and 12 more
  • 3G0X · Human dihydroorotate dehydrogenase in complex with a leflunomide derivative inhibitor 5 · MD7 A2 · binds TYR38, MET43, LEU46, GLN47, PRO52, ALA55, HIS56, ALA59 and 12 more

Residues it binds most

LEU 2, TYR 2, ALA 2, MET 2, PRO 2, THR 2, ARG 2, GLN 2, HIS 2, PHE 2 (residue and the binding sites it lines).

Found with

  • FMN · Flavin mononucleotide
  • ORO · Orotic acid
  • SO4 · Sulfate ion

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