Found one PDB record: 4RI6
No: |
PDB id |
Binding Data |
Representative ligand |
Formula |
Smiles |
The Class containing this family consists of a total of 39 families.
|
1
|
4RI6
|
- |
GSH
|
C10 H17 N3 O6 S
|
C(CC(=O)N[....
|
No: |
Ligand |
ECFP6 Tc |
MDL keys Tc
|
1
|
GSH
|
1
|
1
|
2
|
HCG
|
0.75
|
0.973684
|
3
|
HGS
|
0.730769
|
0.925
|
4
|
GSM
|
0.690909
|
0.878049
|
5
|
GDS
|
0.672727
|
0.837209
|
6
|
GS8
|
0.672727
|
0.840909
|
7
|
GTS
|
0.672727
|
0.660714
|
8
|
GSF
|
0.660714
|
0.72549
|
9
|
AHE
|
0.649123
|
0.9
|
10
|
3GC
|
0.645833
|
0.918919
|
11
|
HGD
|
0.637931
|
0.837209
|
12
|
GCG
|
0.6
|
0.860465
|
13
|
KGT
|
0.592593
|
0.923077
|
14
|
TGG
|
0.587302
|
0.9
|
15
|
BWS
|
0.581818
|
0.871795
|
16
|
TS5
|
0.573529
|
0.880952
|
17
|
0HH
|
0.528571
|
0.782609
|
18
|
GSB
|
0.528571
|
0.878049
|
19
|
KSN
|
0.528302
|
0.789474
|
20
|
GSO
|
0.521127
|
0.857143
|
21
|
BOB
|
0.493506
|
0.75
|
22
|
GTB
|
0.493333
|
0.631579
|
23
|
P9H
|
0.486842
|
0.857143
|
24
|
GBI
|
0.486842
|
0.782609
|
25
|
48T
|
0.481013
|
0.8
|
26
|
L9X
|
0.480519
|
0.62069
|
27
|
GTD
|
0.480519
|
0.6
|
28
|
ESG
|
0.480519
|
0.62069
|
29
|
1R4
|
0.474359
|
0.62069
|
30
|
GIP
|
0.474359
|
0.6
|
31
|
GPS
|
0.468354
|
0.72
|
32
|
GPR
|
0.468354
|
0.72
|
33
|
GBP
|
0.468354
|
0.6
|
34
|
GAZ
|
0.457831
|
0.679245
|
35
|
GVX
|
0.45679
|
0.8
|
36
|
HFV
|
0.447761
|
0.8
|
37
|
ASV
|
0.446154
|
0.9
|
38
|
GNB
|
0.445783
|
0.6
|
39
|
W05
|
0.444444
|
0.923077
|
40
|
VB1
|
0.444444
|
0.9
|
41
|
LZ6
|
0.436782
|
0.692308
|
42
|
ACV
|
0.430769
|
0.878049
|
43
|
BCV
|
0.424242
|
0.9
|
44
|
CDH
|
0.424242
|
0.818182
|
45
|
2G2
|
0.42029
|
0.615385
|
46
|
HGA
|
0.42
|
0.622222
|
47
|
M8F
|
0.411765
|
0.837209
|
48
|
MEQ
|
0.411765
|
0.658537
|
49
|
TS4
|
0.410256
|
0.804348
|
50
|
M9F
|
0.405797
|
0.837209
|
51
|
KKA
|
0.4
|
0.894737
|
52
|
M2W
|
0.4
|
0.8
|
53
|
ACW
|
0.4
|
0.8
|
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