3PSB

furo[2,3-c]pyridine-based indanone oximes as potent and selective b- raf inhibitors

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 124
  • Norm. En. per Res.: -3.1179
• 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	-25.0594	-47.4544	-314.109	-386.6228	124	22	1	12084	5	52	63

Interface residues

• A-B: ALA561B, ALA569A, ALA569B, ARG506A, ARG506B, ARG509A, ARG509B, ARG558A, ARG558B, ARG719A, ARG719B, ASN512A, ASN512B, ASP448A, ASP448A5, ASP448B, ASP449A, ASP449B, ASP479A, ASP479B, ASP565A, ASP565B, ASP587A, ASP587B, CB5.16752-16.73894, CB6.72051-59.62789, CB9.07397-5.28643, CYS532A, CYS532B, GLN456A, GLN456B, GLN530A, GLN530B, GLN559A, GLN559B, GLN562A, GLN562B, GLU451A, GLU451B, GLU533A, GLU586A, GLU586B, GLU715A, GLU715B, GLY478A, GLY478B, GLY503A, GLY503B, GLY518A, GLY518B, GLY563A, GLY563B, HIS477A, HIS477B, HIS510A, HIS510B, HIS568A, HIS568B, HIS585A, HIS585B, ILE452A, ILE452B, ILE513A, ILE513B, ILE572A, ILE572B, LEU505A, LEU505B, LEU514A, LEU514B, LEU515A, LEU515B, LEU567A, LEU567B, LEU588A, LEU588B, LEU711A, LEU711B, LYS475A, LYS475B, LYS507A, LYS507B, LYS570A, LYS570B, LYS591A, LYS591B, MET517A, MET517B, MET564A, PHE516A, PHE516B, PRO453A, PRO453B, PRO708A, PRO708B, SER571B, THR508A, THR508B, THR529A, THR529B, THR589A, THR589B, TRP450A, TRP450B, TRP476A, TRP476B, TRP531A, TRP531B, TYR519A, TYR519B, TYR566A, TYR566B, VAL480A, VAL480B, VAL502A, VAL502B, VAL504A, VAL504B, VAL511A, VAL511B, VAL528A, VAL528B, VAL600A, VAL600B