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Table 3 Conclusion of H-bonds between compounds and tyrosine kinase of HER2

From: Computational analyses of curcuminoid analogs against kinase domain of HER2

System

Donor

Acceptor

% occupied

distance (Ã…)

SYR-HER2TK

Met801

N

H

SYR

N11

94.73

3.128 ± 0.15

 

SYR

O1

H1

Asp863

OD1

10.67

2.761 ± 0.17

AS-KTC006-HER2TK

Thr862

OG1

HG1

AS-KTC006

O24

34.67

2.851 ± 0.18

 

Cys805

N

H

AS-KTC006

O25

10.17

3.191 ± 0.18

 

AS-KTC006

O21

H39

Asp863

O

9.17

2.758 ± 0.16

AS-KTC021-HER2TK

Cys805

N

H

AS-KTC021

O22

35.97

3.142 ± 0.18

 

Thr862

OG1

HG1

AS-KTC021

O21

5.37

3.100 ± 0.20