GL1X · GenesisL1 explorer

Ligand · CU4

CU4 · 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide

CU4, 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide (C24 H17 F N4 O3 S, 460.5 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its…

Component
CU4
Formula
C24 H17 F N4 O3 S
Class
ligand
Structures
3
PDB entries
2

Binding sites

CU4 in 3 structures; the first of them:

  • 6B5I · ALDH1A2 liganded with 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H… · CU4 A601 · binds VAL138, GLY142, LYS145, THR146, ASN187, PHE188, LEU191, TRP195 and 11 more
  • 6B5H · ALDH1A2 liganded with NAD and 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3… · CU4 A602 · binds VAL138, GLY142, THR146, ASN187, PHE188, LEU191, TRP195, GLN310 and 10 more
  • 6B5I · ALDH1A2 liganded with 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4… · CU4 A601 · binds VAL138, GLY142, THR146, ASN187, PHE188, LEU191, TRP195, GLN310 and 9 more

Residues it binds most

PHE 12, ASN 12, CYS 12, THR 12, LEU 12, GLN 12, ALA 12, GLY 12, TRP 12, MET 9 (residue and the binding sites it lines).

Found with

  • NAD · Nicotinamide-adenine-dinucleotide

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