3L1S

3-aryl-4-(arylhydrazono)-1h-pyrazol-5-ones: highly ligand efficient and potent inhibitors of gsk3

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 87
  • Norm. En. per Res.: -2.2424
• Hub Node: A(1)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-40.5031	4.8791	-159.463	-195.087	87	6	9	6930	0	22	24

Interface residues

• A-B: ALA231B, ARG180A, ARG180B, ARG220A, ARG220B, ARG223A, ARG223B, ARG96A, ARG96B, ASN64A, ASP181A, ASP181B, ASP200B, ASP260A, ASP260B, ASP264A, ASP264B, ASP90A, CYS218A, CYS218B, GLN185A, GLN185B, GLN265A, GLN265B, GLU268A, GLU268B, GLY202A, GLY202B, GLY230A, GLY230B, GLY259A, GLY259B, GLY262A, GLY262B, GLY65A, GLY65B, GLY68A, GLY68B, ILE217A, ILE217B, ILE228A, ILE228B, ILE270A, LEU227A, LEU227B, LEU266A, LEU266B, LEU88A, LEU88B, LYS183A, LYS183B, LYS271A, LYS271B, PHE229A, PHE229B, PHE67A, PHE67B, PRO225A, PRO225B, PRO258A, PRO258B, SER203A, SER203B, SER215A, SER215B, SER219A, SER219B, SER261A, SER261B, SER66A, SER66B, THR232A, THR232B, THR275B, TYR140B, TYR216A, TYR216B, TYR221A, TYR221B, TYR222A, TYR222B, VAL214A, VAL214B, VAL263A, VAL263B, VAL267A, VAL267B