2GU8

discovery of 2-pyrimidyl-5-amidothiophenes as novel and potent inhibitors for akt: synthesis and sar studies

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 95
  • Norm. En. per Res.: -5.8638
• 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-C	-128.1535	-138.0734	-290.835	-557.0619	95	16	3	10341	11	33	21

Interface residues

• A-C: ALA233A, ALA240A, ALA508C, ALA512C, ALA521C, ARG133A, ARG134A, ARG137A, ARG165A, ARG256A, ARG515C, ARG518C, ARG519C, ASN171A, ASN326A, ASN520C, ASP166A, ASP184A, ASP241A, ASP328A, ASP329A, ASP509C, ASP524C, CYS199A, GLN242A, GLN245A, GLN84A, GLU127A, GLU170A, GLU203A, GLU230A, GLU86A, GLY126A, GLY136A, GLY186A, GLY200A, GLY234A, GLY50A, GLY514C, GLY517C, GLY52A, HIS131A, HIS260A, HIS523C, HIS87A, ILE135A, ILE209A, ILE210A, ILE244A, ILE246A, ILE511C, ILE522C, LEU132A, LEU167A, LEU173A, LEU198A, LEU205A, LEU227A, LEU49A, LEU82A, LYS168A, LYS249A, LYS83A, MET128A, PHE129A, PHE187A, PHE238A, PHE239A, PHE257A, PHE327A, PHE510C, PHE54A, PRO169A, PRO202A, PRO236A, PRO237A, PRO243A, PRO258A, SER130A, SER259A, SER513C, SER53A, THR201A, THR505C, THR506C, THR516C, THR51A, TRP196A, TYR204A, TYR229A, TYR235A, TYR247A, TYR330A, TYR507C, VAL226A