-->
No: |
PDB id |
Binding Data |
Representative ligand |
Formula |
Smiles |
The Class containing this family consists of a total of 4 families.
|
1
|
3G1Z
|
- |
AMP
|
C10 H14 N5 O7 P
|
c1nc(c2c(n....
|
2
|
3A5Y
|
Kd
=
11
nM |
KAA
|
C16 H26 N8 O7 S
|
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
|
3G1Z
|
- |
AMP
|
C10 H14 N5 O7 P
|
c1nc(c2c(n....
|
2
|
3A5Y
|
Kd
=
11
nM |
KAA
|
C16 H26 N8 O7 S
|
c1nc(c2c(n....
|
No: |
Ligand |
ECFP6 Tc |
MDL keys Tc
|
1
|
A
|
1
|
1
|
2
|
AMP
|
1
|
1
|
3
|
A2D
|
0.833333
|
0.943662
|
4
|
ABM
|
0.833333
|
0.943662
|
5
|
ADP
|
0.823529
|
0.971429
|
6
|
A12
|
0.808824
|
0.931507
|
7
|
AP2
|
0.808824
|
0.931507
|
8
|
BA3
|
0.808824
|
0.943662
|
9
|
SRA
|
0.80303
|
0.944444
|
10
|
AP5
|
0.797101
|
0.943662
|
11
|
B4P
|
0.797101
|
0.943662
|
12
|
HEJ
|
0.788732
|
0.971429
|
13
|
ATP
|
0.788732
|
0.971429
|
14
|
AT4
|
0.785714
|
0.931507
|
15
|
AN2
|
0.785714
|
0.957747
|
16
|
5FA
|
0.777778
|
0.971429
|
17
|
AQP
|
0.777778
|
0.971429
|
18
|
APC
|
0.777778
|
0.931507
|
19
|
CA0
|
0.774648
|
0.917808
|
20
|
M33
|
0.774648
|
0.930556
|
21
|
AU1
|
0.774648
|
0.944444
|
22
|
ADX
|
0.774648
|
0.848101
|
23
|
ACP
|
0.763889
|
0.944444
|
24
|
50T
|
0.763889
|
0.957747
|
25
|
25A
|
0.75641
|
0.971429
|
26
|
AR6
|
0.753425
|
0.943662
|
27
|
PRX
|
0.753425
|
0.917808
|
28
|
APR
|
0.753425
|
0.943662
|
29
|
ACQ
|
0.746667
|
0.944444
|
30
|
T99
|
0.746667
|
0.931507
|
31
|
TAT
|
0.746667
|
0.931507
|
32
|
SAP
|
0.743243
|
0.918919
|
33
|
AD9
|
0.743243
|
0.944444
|
34
|
AGS
|
0.743243
|
0.918919
|
35
|
RBY
|
0.743243
|
0.905405
|
36
|
ADV
|
0.743243
|
0.905405
|
37
|
ANP
|
0.723684
|
0.944444
|
38
|
ADP PO3
|
0.72
|
0.942857
|
39
|
6YZ
|
0.717949
|
0.944444
|
40
|
5AL
|
0.714286
|
0.930556
|
41
|
SON
|
0.712329
|
0.931507
|
42
|
LMS
|
0.710145
|
0.825
|
43
|
RAB
|
0.709677
|
0.842857
|
44
|
XYA
|
0.709677
|
0.842857
|
45
|
ADN
|
0.709677
|
0.842857
|
46
|
ATF
|
0.705128
|
0.931507
|
47
|
GAP
|
0.701299
|
0.891892
|
48
|
A22
|
0.7
|
0.957747
|
49
|
SRP
|
0.696203
|
0.905405
|
50
|
7D5
|
0.691176
|
0.902778
|
51
|
A3P
|
0.684932
|
0.971014
|
52
|
A2P
|
0.684932
|
0.956522
|
53
|
ADP ALF
|
0.683544
|
0.868421
|
54
|
ALF ADP
|
0.683544
|
0.868421
|
55
|
ADQ
|
0.682927
|
0.917808
|
56
|
MAP
|
0.679012
|
0.918919
|
57
|
ADP VO4
|
0.675
|
0.930556
|
58
|
VO4 ADP
|
0.675
|
0.930556
|
59
|
OOB
|
0.670732
|
0.930556
|
60
|
9ZA
|
0.670732
|
0.906667
|
61
|
8QN
|
0.670732
|
0.930556
|
62
|
5SV
|
0.670732
|
0.87013
|
63
|
9ZD
|
0.670732
|
0.906667
|
64
|
PTJ
|
0.670588
|
0.894737
|
65
|
AOC
|
0.666667
|
0.84507
|
66
|
PAJ
|
0.662651
|
0.858974
|
67
|
4AD
|
0.662651
|
0.893333
|
68
|
A3R
|
0.662651
|
0.881579
|
69
|
A1R
|
0.662651
|
0.881579
|
70
|
AMO
|
0.662651
|
0.905405
|
71
|
5N5
|
0.661538
|
0.816901
|
72
|
DAL AMP
|
0.658537
|
0.90411
|
73
|
IMO
|
0.657534
|
0.928571
|
74
|
AHX
|
0.654762
|
0.87013
|
75
|
00A
|
0.654762
|
0.881579
|
76
|
DLL
|
0.654762
|
0.930556
|
77
|
5AS
|
0.653333
|
0.776471
|
78
|
A4D
|
0.651515
|
0.816901
|
79
|
5CD
|
0.651515
|
0.828571
|
80
|
9X8
|
0.647059
|
0.893333
|
81
|
OAD
|
0.647059
|
0.917808
|
82
|
3UK
|
0.647059
|
0.917808
|
83
|
ADP BMA
|
0.647059
|
0.891892
|
84
|
25L
|
0.643678
|
0.957747
|
85
|
PR8
|
0.639535
|
0.848101
|
86
|
WAQ
|
0.639535
|
0.881579
|
87
|
LAD
|
0.639535
|
0.858974
|
88
|
B5V
|
0.639535
|
0.905405
|
89
|
DTA
|
0.637681
|
0.808219
|
90
|
V3L
|
0.6375
|
0.971429
|
91
|
3DH
|
0.633803
|
0.794521
|
92
|
BIS
|
0.632184
|
0.906667
|
93
|
ME8
|
0.632184
|
0.8375
|
94
|
3OD
|
0.632184
|
0.917808
|
95
|
FYA
|
0.632184
|
0.930556
|
96
|
NB8
|
0.632184
|
0.87013
|
97
|
1ZZ
|
0.632184
|
0.8375
|
98
|
TXA
|
0.632184
|
0.905405
|
99
|
MTA
|
0.628571
|
0.794521
|
100
|
3AM
|
0.625
|
0.956522
|
101
|
EP4
|
0.623188
|
0.773333
|
102
|
A A
|
0.62069
|
0.971429
|
103
|
9SN
|
0.617977
|
0.87013
|
104
|
M2T
|
0.614286
|
0.753247
|
105
|
JB6
|
0.613636
|
0.881579
|
106
|
YAP
|
0.611111
|
0.893333
|
107
|
B5Y
|
0.611111
|
0.893333
|
108
|
FA5
|
0.611111
|
0.905405
|
109
|
B5M
|
0.611111
|
0.893333
|
110
|
MYR AMP
|
0.606742
|
0.814815
|
111
|
G5A
|
0.604938
|
0.776471
|
112
|
XAH
|
0.604396
|
0.8375
|
113
|
4UV
|
0.597826
|
0.893333
|
114
|
71V
|
0.597403
|
0.906667
|
115
|
ATP A A A
|
0.593407
|
0.929577
|
116
|
PAP
|
0.592593
|
0.957143
|
117
|
G3A
|
0.591398
|
0.894737
|
118
|
2AM
|
0.589041
|
0.942857
|
119
|
5X8
|
0.5875
|
0.783784
|
120
|
6RE
|
0.586667
|
0.779221
|
121
|
6C6
|
0.585366
|
0.905405
|
122
|
AFH
|
0.585106
|
0.858974
|
123
|
4UU
|
0.585106
|
0.893333
|
124
|
G5P
|
0.585106
|
0.894737
|
125
|
GA7
|
0.585106
|
0.905405
|
126
|
7D3
|
0.584416
|
0.878378
|
127
|
A5A
|
0.583333
|
0.804878
|
128
|
TSB
|
0.581395
|
0.795181
|
129
|
AMP DBH
|
0.580645
|
0.891892
|
130
|
TYR AMP
|
0.580645
|
0.868421
|
131
|
2A5
|
0.580247
|
0.891892
|
132
|
DQV
|
0.578947
|
0.930556
|
133
|
DSH
|
0.578947
|
0.74359
|
134
|
GTA
|
0.578947
|
0.860759
|
135
|
TAD
|
0.578947
|
0.858974
|
136
|
6IA
|
0.578313
|
0.858974
|
137
|
SSA
|
0.576471
|
0.776471
|
138
|
AMZ
|
0.575342
|
0.888889
|
139
|
C2R
|
0.575342
|
0.876712
|
140
|
PGS
|
0.575
|
0.857143
|
141
|
7D4
|
0.575
|
0.878378
|
142
|
ZAS
|
0.573333
|
0.786667
|
143
|
ATR
|
0.573171
|
0.942857
|
144
|
LAQ
|
0.572917
|
0.8375
|
145
|
AAM
|
0.571429
|
1
|
146
|
J7C
|
0.571429
|
0.789474
|
147
|
A3N
|
0.571429
|
0.783784
|
148
|
PPS
|
0.571429
|
0.848101
|
149
|
AIR
|
0.571429
|
0.927536
|
150
|
52H
|
0.569767
|
0.776471
|
151
|
54H
|
0.569767
|
0.785714
|
152
|
VMS
|
0.569767
|
0.785714
|
153
|
AR6 AR6
|
0.568421
|
0.916667
|
154
|
ARG AMP
|
0.568421
|
0.82716
|
155
|
7MD
|
0.568421
|
0.8375
|
156
|
YLP
|
0.56701
|
0.817073
|
157
|
48N
|
0.56701
|
0.87013
|
158
|
OVE
|
0.565789
|
0.90411
|
159
|
UPA
|
0.565657
|
0.881579
|
160
|
2SA
|
0.564706
|
0.905405
|
161
|
S4M
|
0.564103
|
0.682353
|
162
|
5CA
|
0.563218
|
0.776471
|
163
|
53H
|
0.563218
|
0.776471
|
164
|
8X1
|
0.563218
|
0.75
|
165
|
UP5
|
0.561224
|
0.893333
|
166
|
NAI
|
0.561224
|
0.881579
|
167
|
6V0
|
0.561224
|
0.87013
|
168
|
NAX
|
0.561224
|
0.848101
|
169
|
4UW
|
0.561224
|
0.858974
|
170
|
DND
|
0.561224
|
0.905405
|
171
|
TXD
|
0.561224
|
0.881579
|
172
|
NXX
|
0.561224
|
0.905405
|
173
|
NIA
|
0.56
|
0.820513
|
174
|
D5M
|
0.558442
|
0.902778
|
175
|
DA
|
0.558442
|
0.902778
|
176
|
MAO
|
0.556962
|
0.777778
|
177
|
AHZ
|
0.556701
|
0.814815
|
178
|
OMR
|
0.555556
|
0.82716
|
179
|
ITT
|
0.555556
|
0.915493
|
180
|
TYM
|
0.555556
|
0.905405
|
181
|
TXE
|
0.555556
|
0.881579
|
182
|
5AD
|
0.552239
|
0.768116
|
183
|
A2R
|
0.551724
|
0.957747
|
184
|
LPA AMP
|
0.55102
|
0.814815
|
185
|
DSZ
|
0.550562
|
0.776471
|
186
|
NSS
|
0.550562
|
0.776471
|
187
|
LSS
|
0.550562
|
0.758621
|
188
|
AP0
|
0.55
|
0.87013
|
189
|
YLC
|
0.55
|
0.8375
|
190
|
4TC
|
0.55
|
0.87013
|
191
|
YLB
|
0.55
|
0.817073
|
192
|
P5A
|
0.549451
|
0.741573
|
193
|
139
|
0.54902
|
0.848101
|
194
|
A4P
|
0.544554
|
0.819277
|
195
|
NVA LMS
|
0.544444
|
0.75
|
196
|
GJV
|
0.544304
|
0.769231
|
197
|
7D7
|
0.544118
|
0.763889
|
198
|
9K8
|
0.543478
|
0.711111
|
199
|
A7D
|
0.54321
|
0.797297
|
200
|
AF3 ADP 3PG
|
0.54
|
0.835443
|
201
|
6K6
|
0.539326
|
0.957143
|
202
|
IOT
|
0.539216
|
0.829268
|
203
|
A3G
|
0.538462
|
0.797297
|
204
|
LEU LMS
|
0.538462
|
0.75
|
205
|
A5D
|
0.535714
|
0.808219
|
206
|
7MC
|
0.534653
|
0.817073
|
207
|
T5A
|
0.533981
|
0.817073
|
208
|
ADJ
|
0.533981
|
0.82716
|
209
|
YLA
|
0.533981
|
0.817073
|
210
|
GSU
|
0.532609
|
0.776471
|
211
|
KAA
|
0.532609
|
0.75
|
212
|
7RA
|
0.531646
|
0.985507
|
213
|
SFG
|
0.53012
|
0.77027
|
214
|
SAH
|
0.529412
|
0.763158
|
215
|
HFD
|
0.529412
|
0.918919
|
216
|
AYB
|
0.528846
|
0.807229
|
217
|
CNA
|
0.528846
|
0.905405
|
218
|
N6P
|
0.527473
|
0.942029
|
219
|
8BR
|
0.525
|
0.931507
|
220
|
F2R
|
0.52381
|
0.839506
|
221
|
80F
|
0.523364
|
0.817073
|
222
|
Y3J
|
0.521127
|
0.746479
|
223
|
YSA
|
0.520833
|
0.776471
|
224
|
7RP
|
0.518987
|
0.955882
|
225
|
BTX
|
0.518868
|
0.839506
|
226
|
NAD
|
0.518868
|
0.930556
|
227
|
COD
|
0.518868
|
0.788235
|
228
|
G A A A
|
0.518868
|
0.87013
|
229
|
MHZ
|
0.518072
|
0.714286
|
230
|
SA8
|
0.517647
|
0.725
|
231
|
6AD
|
0.517241
|
0.883117
|
232
|
DZD
|
0.514019
|
0.858974
|
233
|
BT5
|
0.514019
|
0.829268
|
234
|
RMB
|
0.5125
|
0.898551
|
235
|
SAI
|
0.511628
|
0.753247
|
236
|
AV2
|
0.511364
|
0.890411
|
237
|
8PZ
|
0.510417
|
0.776471
|
238
|
A3D
|
0.509259
|
0.917808
|
239
|
A3S
|
0.506024
|
0.808219
|
240
|
3AT
|
0.505747
|
0.943662
|
241
|
SAM
|
0.505747
|
0.707317
|
242
|
SMM
|
0.505618
|
0.702381
|
243
|
NA7
|
0.505376
|
0.931507
|
244
|
4TA
|
0.504673
|
0.804878
|
245
|
AMP NAD
|
0.504673
|
0.90411
|
246
|
EEM
|
0.5
|
0.707317
|
247
|
G
|
0.5
|
0.905405
|
248
|
NEC
|
0.5
|
0.743243
|
249
|
5GP
|
0.5
|
0.905405
|
250
|
AAT
|
0.5
|
0.725
|
251
|
YLY
|
0.495495
|
0.807229
|
252
|
M24
|
0.495495
|
0.848101
|
253
|
7C5
|
0.494949
|
0.815789
|
254
|
DAT
|
0.494118
|
0.878378
|
255
|
A3T
|
0.494118
|
0.819444
|
256
|
P2P
|
0.493827
|
0.928571
|
257
|
FAI
|
0.493827
|
0.888889
|
258
|
1RB
|
0.493671
|
0.911765
|
259
|
NAE
|
0.491071
|
0.893333
|
260
|
U A
|
0.490909
|
0.906667
|
261
|
NAJ PZO
|
0.490909
|
0.846154
|
262
|
A G
|
0.490741
|
0.881579
|
263
|
TM1
|
0.489583
|
0.771084
|
264
|
A A A
|
0.489362
|
0.90411
|
265
|
A6D
|
0.489362
|
0.740741
|
266
|
PO4 PO4 A A A A PO4
|
0.489362
|
0.901408
|
267
|
S7M
|
0.488889
|
0.707317
|
268
|
DTP
|
0.488636
|
0.878378
|
269
|
RBZ
|
0.4875
|
0.873239
|
270
|
101
|
0.4875
|
0.902778
|
271
|
EAD
|
0.486957
|
0.848101
|
272
|
NAQ
|
0.486726
|
0.87013
|
273
|
U A G G
|
0.486239
|
0.881579
|
274
|
4YB
|
0.485149
|
0.758621
|
275
|
NDE
|
0.483051
|
0.931507
|
276
|
ZID
|
0.482456
|
0.917808
|
277
|
N0B
|
0.482456
|
0.817073
|
278
|
WSA
|
0.480769
|
0.785714
|
279
|
RGT
|
0.479592
|
0.931507
|
280
|
ARU
|
0.478723
|
0.835443
|
281
|
GGZ
|
0.478261
|
0.8
|
282
|
JLN
|
0.47561
|
0.863014
|
283
|
ANZ
|
0.475248
|
0.820513
|
284
|
QQY
|
0.475
|
0.837838
|
285
|
ACK
|
0.475
|
0.885714
|
286
|
NAJ PYZ
|
0.473684
|
0.804878
|
287
|
S8M
|
0.473118
|
0.779221
|
288
|
GEK
|
0.473118
|
0.734177
|
289
|
AVV
|
0.473118
|
0.87013
|
290
|
3AD
|
0.472973
|
0.828571
|
291
|
A U
|
0.471698
|
0.868421
|
292
|
P1H
|
0.470588
|
0.82716
|
293
|
0UM
|
0.468085
|
0.716049
|
294
|
RVP
|
0.467532
|
0.847222
|
295
|
649
|
0.466667
|
0.741573
|
296
|
Z5A
|
0.465517
|
0.776471
|
297
|
PMO
|
0.464286
|
0.873239
|
298
|
SXZ
|
0.463918
|
0.707317
|
299
|
62X
|
0.463158
|
0.682353
|
300
|
QQX
|
0.4625
|
0.826667
|
301
|
8Q2
|
0.462264
|
0.75
|
302
|
2VA
|
0.45977
|
0.797297
|
303
|
IMP
|
0.458824
|
0.90411
|
304
|
K15
|
0.458333
|
0.698795
|
305
|
CC5
|
0.458333
|
0.84058
|
306
|
AS
|
0.457831
|
0.855263
|
307
|
DDS
|
0.455556
|
0.851351
|
308
|
V1N
|
0.455446
|
0.943662
|
309
|
NJP
|
0.454545
|
0.918919
|
310
|
7DD
|
0.453488
|
0.957143
|
311
|
93A
|
0.453488
|
0.804878
|
312
|
G7M
|
0.453488
|
0.87013
|
313
|
3L1
|
0.453333
|
0.77027
|
314
|
3D1
|
0.453333
|
0.77027
|
315
|
EO7
|
0.452381
|
0.785714
|
316
|
NDC
|
0.45082
|
0.87013
|
317
|
FB0
|
0.45082
|
0.781609
|
318
|
0WD
|
0.45045
|
0.894737
|
319
|
NVA 2AD
|
0.449438
|
0.75641
|
320
|
26A
|
0.447368
|
0.76
|
321
|
2FA
|
0.447368
|
0.810811
|
322
|
2BA
|
0.447059
|
0.914286
|
323
|
CMP
|
0.447059
|
0.927536
|
324
|
D3Y
|
0.446809
|
0.786667
|
325
|
KB1
|
0.444444
|
0.716049
|
326
|
APU
|
0.444444
|
0.893333
|
327
|
VRT
|
0.444444
|
0.766234
|
328
|
SO8
|
0.444444
|
0.786667
|
329
|
FDA
|
0.443548
|
0.809524
|
330
|
PUA
|
0.443478
|
0.858974
|
331
|
ODP
|
0.441441
|
0.883117
|
332
|
6FA
|
0.44
|
0.817073
|
333
|
103
|
0.439024
|
0.861111
|
334
|
RP1
|
0.439024
|
0.864865
|
335
|
SP1
|
0.439024
|
0.864865
|
336
|
3NZ
|
0.438776
|
0.779221
|
337
|
A C A C
|
0.438596
|
0.846154
|
338
|
7DT
|
0.438202
|
0.957143
|
339
|
NDP
|
0.436364
|
0.894737
|
340
|
NPW
|
0.436364
|
0.860759
|
341
|
MTP
|
0.434211
|
0.727273
|
342
|
FAS
|
0.433071
|
0.82716
|
343
|
SFD
|
0.433071
|
0.712766
|
344
|
FAD
|
0.433071
|
0.82716
|
345
|
IRN
|
0.432432
|
0.867647
|
346
|
ZZB
|
0.432432
|
0.792683
|
347
|
TXP
|
0.432432
|
0.894737
|
348
|
NZQ
|
0.432432
|
0.883117
|
349
|
62F
|
0.430769
|
0.8375
|
350
|
FNK
|
0.430769
|
0.781609
|
351
|
128
|
0.429907
|
0.752941
|
352
|
1DA
|
0.428571
|
0.842857
|
353
|
6MD
|
0.428571
|
0.805556
|
354
|
PAX
|
0.428571
|
0.82716
|
355
|
SLU
|
0.426087
|
0.767442
|
356
|
XNP
|
0.424779
|
0.848101
|
357
|
12D
|
0.424528
|
0.761905
|
358
|
5F1
|
0.423077
|
0.72973
|
359
|
ETB
|
0.422414
|
0.809524
|
360
|
DCA
|
0.422414
|
0.8
|
361
|
F0P
|
0.422018
|
0.725
|
362
|
WMP
|
0.421053
|
0.864865
|
363
|
GUO
|
0.421053
|
0.864865
|
364
|
FAY
|
0.416667
|
0.8375
|
365
|
38Y
|
0.415929
|
0.804878
|
366
|
5J9
|
0.415842
|
0.728395
|
367
|
COA
|
0.415254
|
0.8
|
368
|
0T1
|
0.415254
|
0.8
|
369
|
KH3
|
0.415094
|
0.690476
|
370
|
U A C C
|
0.413793
|
0.857143
|
371
|
N01
|
0.413793
|
0.90411
|
372
|
FMP
|
0.413793
|
0.871429
|
373
|
RFL
|
0.413534
|
0.797619
|
374
|
NMN AMP PO4
|
0.412281
|
0.868421
|
375
|
GP2
|
0.408602
|
0.858974
|
376
|
GDP
|
0.408602
|
0.893333
|
377
|
NAP
|
0.408333
|
0.944444
|
378
|
NOC
|
0.407895
|
0.760563
|
379
|
2ER
|
0.405941
|
0.831169
|
380
|
1PR
|
0.405941
|
0.820513
|
381
|
P5F
|
0.405797
|
0.8
|
382
|
CAO
|
0.404959
|
0.772727
|
383
|
TAP
|
0.404959
|
0.906667
|
384
|
30N
|
0.404959
|
0.731183
|
385
|
COS
|
0.404959
|
0.781609
|
386
|
AMX
|
0.404959
|
0.809524
|
387
|
XMP
|
0.402299
|
0.891892
|
388
|
G2P
|
0.402062
|
0.858974
|
389
|
APC G U
|
0.401709
|
0.833333
|
390
|
U A A U
|
0.401639
|
0.906667
|
391
|
CMX
|
0.401639
|
0.8
|
392
|
NA0
|
0.401639
|
0.931507
|
393
|
SCO
|
0.401639
|
0.8
|
394
|
9JJ
|
0.40146
|
0.8375
|
395
|
F2N
|
0.4
|
0.790698
|
APoc FAQ
|
|