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Ligand · 33A

33A · N-benzyl-4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-1H-pyrrole-2-carboxamide

33A, N-benzyl-4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-1H-pyrrole-2-carboxamide (C21 H17 Cl N4 O, 376.8 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
33A
Formula
C21 H17 Cl N4 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

33A in 4 structures; the first of them:

  • 2OJI · Crystal structure of ERK2 in complex with N-benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)… · 33A A360 · binds ILE29, GLY30, GLU31, ALA33, GLY35, VAL37, ALA50, LYS52 and 10 more
  • 2OK1 · Crystal structure of JNK3 bound to N-benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrr… · 33A A1 · binds LYS68, PRO69, ILE70, GLY73, ALA74, VAL78, ALA80, ALA91 and 12 more
  • 2OJI · Crystal structure of ERK2 in complex with N-benzyl-4-(4-(3… · 33A A360 · binds ILE29, GLY30, GLU31, ALA33, GLY35, VAL37, ALA50, LYS52 and 10 more
  • 2OK1 · Crystal structure of JNK3 bound to N-benzyl-4-(4-(3-chlorophenyl)-1H… · 33A A1 · binds LYS68, PRO69, ILE70, GLY73, ALA74, VAL78, ALA80, ALA91 and 12 more

Residues it binds most

ALA 4, ASP 4, LEU 4, LYS 4, GLY 4, ILE 4, MET 4, VAL 4, ASN 4, GLN 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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