-->
No: |
PDB id |
Binding Data |
Representative ligand |
Formula |
Smiles |
The Class containing this family consists of a total of 3 families.
|
1
|
2PTQ
|
- |
FUM
|
C4 H4 O4
|
C(=C/C(=O)....
|
2
|
2PTR
|
- |
2SA
|
C14 H18 N5 O11 P
|
c1nc(c2c(n....
|
No: |
PDB id |
Binding Data |
Representative ligand |
Formula |
Smiles |
The Class containing this family consists of a total of 3 families.
|
1
|
2PTQ
|
- |
FUM
|
C4 H4 O4
|
C(=C/C(=O)....
|
2
|
2PTR
|
- |
2SA
|
C14 H18 N5 O11 P
|
c1nc(c2c(n....
|
No: |
Ligand |
ECFP6 Tc |
MDL keys Tc
|
1
|
2SA
|
1
|
1
|
2
|
6IA
|
0.622222
|
0.851852
|
3
|
6C6
|
0.611111
|
0.896104
|
4
|
6K6
|
0.56701
|
0.893333
|
5
|
A
|
0.564706
|
0.905405
|
6
|
AMP
|
0.564706
|
0.905405
|
7
|
IMO
|
0.545455
|
0.891892
|
8
|
AMO
|
0.5
|
0.972973
|
9
|
PGS
|
0.5
|
0.85
|
10
|
ADP
|
0.494624
|
0.932432
|
11
|
7MC
|
0.491228
|
0.878049
|
12
|
CA0
|
0.484211
|
0.933333
|
13
|
ITT
|
0.484211
|
0.905405
|
14
|
71V
|
0.483871
|
0.85
|
15
|
HEJ
|
0.479167
|
0.932432
|
16
|
ATP
|
0.479167
|
0.932432
|
17
|
ABM
|
0.478261
|
0.857143
|
18
|
A2D
|
0.478261
|
0.906667
|
19
|
7MD
|
0.477477
|
0.9
|
20
|
C2R
|
0.477273
|
0.893333
|
21
|
25A
|
0.475728
|
0.906667
|
22
|
5FA
|
0.474227
|
0.932432
|
23
|
AQP
|
0.474227
|
0.932432
|
24
|
4AD
|
0.471154
|
0.96
|
25
|
6MD
|
0.470588
|
0.776316
|
26
|
5AL
|
0.47
|
0.92
|
27
|
AU1
|
0.46875
|
0.907895
|
28
|
A12
|
0.468085
|
0.921053
|
29
|
BA3
|
0.468085
|
0.906667
|
30
|
AP2
|
0.468085
|
0.921053
|
31
|
PTJ
|
0.46729
|
0.886076
|
32
|
TXA
|
0.46729
|
0.921053
|
33
|
AHX
|
0.466667
|
0.910256
|
34
|
N6P
|
0.466667
|
0.878378
|
35
|
AP5
|
0.463158
|
0.906667
|
36
|
B4P
|
0.463158
|
0.906667
|
37
|
JLN
|
0.462366
|
0.905405
|
38
|
9ZD
|
0.461538
|
0.897436
|
39
|
9ZA
|
0.461538
|
0.897436
|
40
|
SRP
|
0.460784
|
0.946667
|
41
|
AMZ
|
0.460674
|
0.88
|
42
|
T99
|
0.46
|
0.896104
|
43
|
TAT
|
0.46
|
0.896104
|
44
|
APC
|
0.459184
|
0.921053
|
45
|
AT4
|
0.458333
|
0.896104
|
46
|
AN2
|
0.458333
|
0.92
|
47
|
SRA
|
0.456522
|
0.858974
|
48
|
TT8
|
0.456311
|
0.7625
|
49
|
NB8
|
0.453704
|
0.935065
|
50
|
ADX
|
0.453608
|
0.819277
|
51
|
M33
|
0.453608
|
0.894737
|
52
|
XAH
|
0.45045
|
0.853659
|
53
|
ACP
|
0.44898
|
0.933333
|
54
|
50T
|
0.44898
|
0.894737
|
55
|
8QN
|
0.447619
|
0.92
|
56
|
FAI
|
0.446809
|
0.88
|
57
|
6YZ
|
0.446602
|
0.933333
|
58
|
GAP
|
0.445545
|
0.883117
|
59
|
ANP
|
0.445545
|
0.907895
|
60
|
ACQ
|
0.445545
|
0.933333
|
61
|
AR6
|
0.444444
|
0.932432
|
62
|
PRX
|
0.444444
|
0.835443
|
63
|
WAQ
|
0.444444
|
0.897436
|
64
|
APR
|
0.444444
|
0.932432
|
65
|
PAJ
|
0.443396
|
0.875
|
66
|
DSZ
|
0.443396
|
0.835294
|
67
|
SON
|
0.443299
|
0.946667
|
68
|
SAP
|
0.44
|
0.884615
|
69
|
RBY
|
0.44
|
0.921053
|
70
|
AD9
|
0.44
|
0.907895
|
71
|
ADV
|
0.44
|
0.921053
|
72
|
AGS
|
0.44
|
0.884615
|
73
|
DLL
|
0.439252
|
0.92
|
74
|
DAL AMP
|
0.438095
|
0.894737
|
75
|
A22
|
0.438095
|
0.92
|
76
|
AIR
|
0.436782
|
0.84
|
77
|
7RP
|
0.43617
|
0.890411
|
78
|
NIA
|
0.434783
|
0.771084
|
79
|
OOB
|
0.433962
|
0.92
|
80
|
IOT
|
0.433333
|
0.86747
|
81
|
LAD
|
0.431193
|
0.898734
|
82
|
B5V
|
0.431193
|
0.896104
|
83
|
PR8
|
0.431193
|
0.8875
|
84
|
1RB
|
0.430108
|
0.849315
|
85
|
ME8
|
0.427273
|
0.876543
|
86
|
FYA
|
0.427273
|
0.894737
|
87
|
00A
|
0.425926
|
0.873418
|
88
|
ARU
|
0.425926
|
0.829268
|
89
|
ADP PO3
|
0.425743
|
0.88
|
90
|
MAP
|
0.424528
|
0.884615
|
91
|
25L
|
0.423423
|
0.92
|
92
|
ATF
|
0.423077
|
0.896104
|
93
|
OAD
|
0.422018
|
0.933333
|
94
|
3UK
|
0.422018
|
0.907895
|
95
|
AAM
|
0.416667
|
0.905405
|
96
|
ADQ
|
0.416667
|
0.907895
|
97
|
P2P
|
0.416667
|
0.866667
|
98
|
7RA
|
0.416667
|
0.893333
|
99
|
RMB
|
0.416667
|
0.837838
|
100
|
YAP
|
0.415929
|
0.934211
|
101
|
FA5
|
0.415929
|
0.946667
|
102
|
48N
|
0.415254
|
0.910256
|
103
|
3OD
|
0.414414
|
0.933333
|
104
|
JB6
|
0.414414
|
0.85
|
105
|
1ZZ
|
0.414414
|
0.831325
|
106
|
ARG AMP
|
0.413793
|
0.865854
|
107
|
TSB
|
0.411215
|
0.790698
|
108
|
RBZ
|
0.410526
|
0.815789
|
109
|
5GP
|
0.41
|
0.871795
|
110
|
G
|
0.41
|
0.871795
|
111
|
A5A
|
0.409524
|
0.77907
|
112
|
ALF ADP
|
0.409524
|
0.814815
|
113
|
ADP ALF
|
0.409524
|
0.814815
|
114
|
9X8
|
0.409091
|
0.884615
|
115
|
A2P
|
0.408163
|
0.891892
|
116
|
5SV
|
0.407407
|
0.795181
|
117
|
9SN
|
0.40708
|
0.8625
|
118
|
RVP
|
0.406593
|
0.815789
|
119
|
5X8
|
0.405941
|
0.802632
|
120
|
SSA
|
0.40566
|
0.813953
|
121
|
ADP VO4
|
0.40566
|
0.87013
|
122
|
VO4 ADP
|
0.40566
|
0.87013
|
123
|
GSU
|
0.405405
|
0.813953
|
124
|
IMP
|
0.40404
|
0.894737
|
125
|
NSS
|
0.40367
|
0.813953
|
126
|
A3R
|
0.40367
|
0.897436
|
127
|
A1R
|
0.40367
|
0.897436
|
128
|
B5Y
|
0.403509
|
0.884615
|
129
|
B5M
|
0.403509
|
0.884615
|
130
|
YLP
|
0.403361
|
0.855422
|
131
|
VMS
|
0.401869
|
0.761364
|
132
|
52H
|
0.401869
|
0.752809
|
133
|
54H
|
0.401869
|
0.761364
|
134
|
GUO
|
0.401869
|
0.857143
|
135
|
BIS
|
0.401786
|
0.873418
|
136
|
1PR
|
0.401786
|
0.8375
|
137
|
6AD
|
0.4
|
0.851852
|
138
|
LMS
|
0.4
|
0.776471
|
139
|
93A
|
0.4
|
0.821429
|
140
|
36A
|
0.4
|
0.717647
|
141
|
F2R
|
0.4
|
0.901235
|
This union binding pocket(no: 2) in the query (biounit: 2ptr.bio1) has 28 residues
|
No: |
Leader PDB |
Ligand |
Sequence Similarity
|
This union binding pocket(no: 4) in the query (biounit: 2ptr.bio1) has 28 residues
|
No: |
Leader PDB |
Ligand |
Sequence Similarity
|
APoc FAQ
|
|