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Ligand · 4XN

4XN · 6-{[(3R)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-5-[4-(1-methyl-1H-indazol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one

4XN, 6-{[(3R)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-5-[4-(1-methyl-1H-indazol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one (C28 H29 N5 O2, 467.6 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry).…

Component
4XN
Formula
C28 H29 N5 O2
Class
ligand
Structures
1
PDB entries
1

Binding sites

4XN in 1 structure; the first of them:

  • 5C37 · Structure of the beta-ketoacyl reductase domain of human fatty acid synthase bound to a… · 4XN A2202 · binds GLU1115, PRO1262, HIS1263, PRO1264, LEU1975, SER2021, VAL2022, SER2023 and 12 more

Residues it binds most

SER 2, LEU 2, PRO 2, VAL 2, ALA 2, ARG 2, ASN 2, GLN 2, GLY 2, HIS 2 (residue and the binding sites it lines).

Found with

  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
  • CL · Chloride ion
  • GOL · Glycerol

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