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Ligand · HMD

HMD · 4-(5-amino-4-oxo-4H-pyrazol-3-yl)-2-bromo-4,5,6,7-tetrahydro-3AH-pyrrolo[2,3-c]azepin-8-one

HMD, 4-(5-amino-4-oxo-4H-pyrazol-3-yl)-2-bromo-4,5,6,7-tetrahydro-3AH-pyrrolo[2,3-c]azepin-8-one (C11 H10 Br N5 O2, 324.1 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
HMD
Formula
C11 H10 Br N5 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

HMD in 4 structures; the first of them:

  • 1DM2 · Human cyclin-dependent kinase 2 complexed with the inhibitor hymenialdisine · HMD A400 · binds ILE10, GLY13, VAL18, ALA31, LYS33, VAL64, PHE80, GLU81 and 7 more
  • 2PMO · Crystal structure of PfPK7 in complex with hymenialdisine · HMD X400 · binds LEU34, ILE42, ALA53, LYS55, LEU101, TYR117, GLU118, TYR119 and 6 more
  • 1DM2 · Human cyclin-dependent kinase 2 complexed with the inhibitor hymenialdisine · HMD A400 · binds ILE10, GLY13, VAL18, ALA31, LYS33, VAL64, PHE80, GLU81 and 7 more
  • 2PMO · Crystal structure of PFPK7 in complex with hymenialdisine · HMD X400 · binds LEU34, ILE42, ALA53, LYS55, LEU101, TYR117, GLU118, TYR119 and 6 more

Residues it binds most

LEU 4, ASP 4, ALA 4, ASN 4, GLU 4, ILE 4, LYS 4, PHE 2, TYR 2, VAL 2 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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