-->
No: |
PDB id |
Binding Data |
Representative ligand |
Formula |
Smiles |
The Class containing this family consists of a total of 280 families.
|
1
|
3Q2K
|
- |
NAD
|
C21 H27 N7 O14 P2
|
c1cc(c[n+]....
|
2
|
3Q2I
|
- |
HP7
|
C17 H25 N3 O18 P2
|
CC(=O)N[C@....
|
No: |
PDB id |
Binding Data |
Representative ligand |
Formula |
Smiles |
The Class containing this family consists of a total of 187 families.
|
1
|
3Q2K
|
- |
NAD
|
C21 H27 N7 O14 P2
|
c1cc(c[n+]....
|
2
|
3Q2I
|
- |
HP7
|
C17 H25 N3 O18 P2
|
CC(=O)N[C@....
|
No: |
Ligand |
ECFP6 Tc |
MDL keys Tc
|
1
|
HP7
|
1
|
1
|
2
|
MJZ
|
0.824742
|
0.971014
|
3
|
UD1
|
0.793814
|
0.985294
|
4
|
UD2
|
0.793814
|
0.985294
|
5
|
UGB
|
0.776596
|
0.985075
|
6
|
UGA
|
0.776596
|
0.985075
|
7
|
F5G
|
0.745098
|
0.985294
|
8
|
UD4
|
0.745098
|
0.971014
|
9
|
F5P
|
0.745098
|
0.971014
|
10
|
UDZ
|
0.733333
|
0.905405
|
11
|
UD7
|
0.708738
|
0.985294
|
12
|
EEB
|
0.697248
|
0.957143
|
13
|
EPZ
|
0.688073
|
0.971014
|
14
|
EPU
|
0.681818
|
0.957143
|
15
|
UFM
|
0.636364
|
0.970588
|
16
|
UPG
|
0.636364
|
0.970588
|
17
|
GUD
|
0.636364
|
0.970588
|
18
|
GDU
|
0.636364
|
0.970588
|
19
|
UMA
|
0.635593
|
0.971014
|
20
|
HWU
|
0.633027
|
0.929577
|
21
|
12V
|
0.633027
|
0.929577
|
22
|
UDM
|
0.622642
|
0.942857
|
23
|
UAD
|
0.617647
|
0.970588
|
24
|
UDX
|
0.617647
|
0.970588
|
25
|
UD0
|
0.615385
|
0.87013
|
26
|
USQ
|
0.605769
|
0.846154
|
27
|
UNP
|
0.604167
|
0.914286
|
28
|
UPF
|
0.601942
|
0.916667
|
29
|
UFG
|
0.601942
|
0.916667
|
30
|
U2F
|
0.601942
|
0.916667
|
31
|
U20
|
0.592
|
0.858974
|
32
|
U21
|
0.592
|
0.858974
|
33
|
U22
|
0.592
|
0.8375
|
34
|
UDP
|
0.591398
|
0.941176
|
35
|
UTP
|
0.589474
|
0.941176
|
36
|
G3N
|
0.584906
|
0.942857
|
37
|
4RA
|
0.575758
|
0.881579
|
38
|
URM
|
0.572816
|
0.928571
|
39
|
660
|
0.572816
|
0.928571
|
40
|
UAG
|
0.571429
|
0.917808
|
41
|
3UC
|
0.550459
|
0.916667
|
42
|
IUG
|
0.538462
|
0.835443
|
43
|
UPP
|
0.533333
|
0.942029
|
44
|
UDH
|
0.533333
|
0.842105
|
45
|
UPU
|
0.529412
|
0.941176
|
46
|
U5P
|
0.526882
|
0.926471
|
47
|
U
|
0.526882
|
0.926471
|
48
|
UML
|
0.524138
|
0.858974
|
49
|
44P
|
0.510417
|
0.901408
|
50
|
2KH
|
0.504951
|
0.914286
|
51
|
UDP UDP
|
0.494949
|
0.911765
|
52
|
2QR
|
0.477941
|
0.848101
|
53
|
Y6W
|
0.468468
|
0.890411
|
54
|
PMP UD1
|
0.460993
|
0.835443
|
55
|
UP5
|
0.456
|
0.855263
|
56
|
C5G
|
0.443478
|
0.916667
|
57
|
U U
|
0.438596
|
0.927536
|
58
|
4TC
|
0.4375
|
0.833333
|
59
|
UUA
|
0.430108
|
0.776119
|
60
|
URI
|
0.419355
|
0.838235
|
61
|
CXY
|
0.415254
|
0.916667
|
62
|
UAG API
|
0.415094
|
0.857143
|
63
|
2GW
|
0.414634
|
0.929577
|
64
|
1GW
|
0.414062
|
0.891892
|
65
|
CSQ
|
0.409836
|
0.853333
|
66
|
CSV
|
0.409836
|
0.853333
|
67
|
CJB
|
0.40625
|
0.823529
|
No: |
Ligand |
ECFP6 Tc |
MDL keys Tc
|
1
|
A3D
|
0.872727
|
0.986111
|
2
|
NHD
|
0.821429
|
0.972222
|
3
|
NAP
|
0.811966
|
0.986111
|
4
|
NFD
|
0.791304
|
0.946667
|
5
|
NXX
|
0.765766
|
0.972603
|
6
|
DND
|
0.765766
|
0.972603
|
7
|
AMP NAD
|
0.74359
|
0.972222
|
8
|
ZID
|
0.737705
|
0.986111
|
9
|
NAQ
|
0.729508
|
0.934211
|
10
|
NAE
|
0.721311
|
0.959459
|
11
|
NA0
|
0.712
|
0.972603
|
12
|
TAP
|
0.704
|
0.921053
|
13
|
NDE
|
0.689922
|
0.972603
|
14
|
NAJ
|
0.683333
|
0.972222
|
15
|
NDC
|
0.679389
|
0.934211
|
16
|
NDO
|
0.674603
|
0.958904
|
17
|
N01
|
0.656
|
0.972222
|
18
|
CNA
|
0.642276
|
0.972603
|
19
|
NBP
|
0.621212
|
0.922078
|
20
|
8ID
|
0.609756
|
0.922078
|
21
|
A2D
|
0.576923
|
0.958333
|
22
|
ADP
|
0.575472
|
0.931507
|
23
|
NGD
|
0.574803
|
0.922078
|
24
|
BA3
|
0.566038
|
0.958333
|
25
|
M33
|
0.564815
|
0.918919
|
26
|
ADP PO3
|
0.563636
|
0.957747
|
27
|
B4P
|
0.560748
|
0.958333
|
28
|
AP5
|
0.560748
|
0.958333
|
29
|
AN2
|
0.555556
|
0.918919
|
30
|
AT4
|
0.555556
|
0.894737
|
31
|
GAP
|
0.553571
|
0.932432
|
32
|
OOB
|
0.551724
|
0.972222
|
33
|
CA0
|
0.550459
|
0.932432
|
34
|
9JJ
|
0.546053
|
0.898734
|
35
|
HEJ
|
0.545455
|
0.931507
|
36
|
ACP
|
0.545455
|
0.906667
|
37
|
ATP
|
0.545455
|
0.931507
|
38
|
DQV
|
0.544
|
0.972222
|
39
|
ADP ALF
|
0.54386
|
0.883117
|
40
|
ALF ADP
|
0.54386
|
0.883117
|
41
|
DAL AMP
|
0.543103
|
0.945205
|
42
|
APR
|
0.540541
|
0.931507
|
43
|
AQP
|
0.540541
|
0.931507
|
44
|
AR6
|
0.540541
|
0.931507
|
45
|
5FA
|
0.540541
|
0.931507
|
46
|
ADP VO4
|
0.53913
|
0.945205
|
47
|
VO4 ADP
|
0.53913
|
0.945205
|
48
|
AD9
|
0.535714
|
0.906667
|
49
|
SAP
|
0.535714
|
0.883117
|
50
|
AGS
|
0.535714
|
0.883117
|
51
|
WAQ
|
0.533333
|
0.896104
|
52
|
ABM
|
0.53271
|
0.905405
|
53
|
DLL
|
0.529412
|
0.972222
|
54
|
00A
|
0.529412
|
0.921053
|
55
|
ACQ
|
0.526316
|
0.906667
|
56
|
NJP
|
0.526316
|
0.959459
|
57
|
ANP
|
0.526316
|
0.906667
|
58
|
OAD
|
0.525
|
0.932432
|
59
|
ADX
|
0.522523
|
0.839506
|
60
|
5AL
|
0.521739
|
0.945205
|
61
|
A1R
|
0.521008
|
0.871795
|
62
|
9SN
|
0.520325
|
0.909091
|
63
|
A
|
0.518868
|
0.930556
|
64
|
AMP
|
0.518868
|
0.930556
|
65
|
50T
|
0.517857
|
0.893333
|
66
|
ATF
|
0.517241
|
0.894737
|
67
|
1ZZ
|
0.516393
|
0.851852
|
68
|
3OD
|
0.516393
|
0.932432
|
69
|
SON
|
0.513514
|
0.92
|
70
|
PRX
|
0.513274
|
0.881579
|
71
|
6YZ
|
0.512821
|
0.906667
|
72
|
SRP
|
0.512821
|
0.92
|
73
|
9X8
|
0.512397
|
0.883117
|
74
|
ADP BMA
|
0.512397
|
0.932432
|
75
|
3UK
|
0.512397
|
0.958904
|
76
|
MYR AMP
|
0.512195
|
0.851852
|
77
|
NAJ PZO
|
0.510949
|
0.909091
|
78
|
NMN
|
0.509434
|
0.875
|
79
|
A3R
|
0.508333
|
0.871795
|
80
|
B5V
|
0.508197
|
0.945946
|
81
|
AMP DBH
|
0.507937
|
0.906667
|
82
|
A22
|
0.504202
|
0.945205
|
83
|
ATP A A A
|
0.504
|
0.971831
|
84
|
B5M
|
0.504
|
0.933333
|
85
|
FA5
|
0.504
|
0.945946
|
86
|
8QN
|
0.5
|
0.945205
|
87
|
NAX
|
0.496183
|
0.886076
|
88
|
TYR AMP
|
0.496063
|
0.933333
|
89
|
PR8
|
0.495935
|
0.8625
|
90
|
AMO
|
0.495868
|
0.92
|
91
|
ADQ
|
0.495868
|
0.932432
|
92
|
4AD
|
0.495868
|
0.933333
|
93
|
PAJ
|
0.495868
|
0.873418
|
94
|
A12
|
0.495495
|
0.894737
|
95
|
AP2
|
0.495495
|
0.894737
|
96
|
AHZ
|
0.492308
|
0.851852
|
97
|
YAP
|
0.492063
|
0.933333
|
98
|
FYA
|
0.491935
|
0.918919
|
99
|
AHX
|
0.491803
|
0.884615
|
100
|
4UU
|
0.488372
|
0.933333
|
101
|
5SV
|
0.487603
|
0.8375
|
102
|
TAT
|
0.487179
|
0.894737
|
103
|
T99
|
0.487179
|
0.894737
|
104
|
APC
|
0.486957
|
0.894737
|
105
|
SRA
|
0.486239
|
0.881579
|
106
|
6V0
|
0.484848
|
0.909091
|
107
|
NAI
|
0.484848
|
0.921053
|
108
|
GTA
|
0.484615
|
0.898734
|
109
|
A A
|
0.483871
|
0.958333
|
110
|
LAD
|
0.483871
|
0.873418
|
111
|
AU1
|
0.482456
|
0.906667
|
112
|
F2R
|
0.481752
|
0.831325
|
113
|
OMR
|
0.481203
|
0.841463
|
114
|
TXE
|
0.481203
|
0.921053
|
115
|
AF3 ADP 3PG
|
0.481203
|
0.873418
|
116
|
LAQ
|
0.480916
|
0.851852
|
117
|
G3A
|
0.48062
|
0.909091
|
118
|
B5Y
|
0.480315
|
0.933333
|
119
|
NB8
|
0.48
|
0.884615
|
120
|
TXA
|
0.48
|
0.92
|
121
|
BIS
|
0.48
|
0.871795
|
122
|
ME8
|
0.48
|
0.851852
|
123
|
PTJ
|
0.48
|
0.884615
|
124
|
139
|
0.477941
|
0.886076
|
125
|
LPA AMP
|
0.477273
|
0.851852
|
126
|
AFH
|
0.476923
|
0.873418
|
127
|
AR6 AR6
|
0.476923
|
0.958333
|
128
|
G5P
|
0.476923
|
0.909091
|
129
|
ARG AMP
|
0.476923
|
0.841463
|
130
|
25L
|
0.47619
|
0.945205
|
131
|
NAJ PYZ
|
0.475524
|
0.864198
|
132
|
25A
|
0.47541
|
0.958333
|
133
|
9ZA
|
0.47541
|
0.896104
|
134
|
9ZD
|
0.47541
|
0.896104
|
135
|
DZD
|
0.47482
|
0.897436
|
136
|
TXD
|
0.473684
|
0.921053
|
137
|
4UV
|
0.472868
|
0.933333
|
138
|
TYM
|
0.470149
|
0.945946
|
139
|
RBY
|
0.470085
|
0.894737
|
140
|
ADV
|
0.470085
|
0.894737
|
141
|
4TA
|
0.467626
|
0.864198
|
142
|
48N
|
0.466165
|
0.884615
|
143
|
XAH
|
0.465116
|
0.851852
|
144
|
4UW
|
0.462687
|
0.897436
|
145
|
M24
|
0.461538
|
0.886076
|
146
|
80F
|
0.460993
|
0.853659
|
147
|
IOT
|
0.459854
|
0.821429
|
148
|
T5A
|
0.456522
|
0.853659
|
149
|
EAD
|
0.455782
|
0.886076
|
150
|
MAP
|
0.455285
|
0.883117
|
151
|
GA7
|
0.454545
|
0.894737
|
152
|
BT5
|
0.453901
|
0.821429
|
153
|
A4P
|
0.452555
|
0.833333
|
154
|
UP5
|
0.451852
|
0.933333
|
155
|
PAP
|
0.445378
|
0.917808
|
156
|
4TC
|
0.445255
|
0.909091
|
157
|
AP0
|
0.445255
|
0.884615
|
158
|
YLP
|
0.444444
|
0.831325
|
159
|
P1H
|
0.443709
|
0.864198
|
160
|
AOC
|
0.442478
|
0.810811
|
161
|
Z5A
|
0.439189
|
0.833333
|
162
|
LMS
|
0.4375
|
0.817073
|
163
|
2A5
|
0.436975
|
0.857143
|
164
|
A G
|
0.43662
|
0.921053
|
165
|
G A A A
|
0.43662
|
0.909091
|
166
|
COD
|
0.43662
|
0.802326
|
167
|
ADJ
|
0.435714
|
0.841463
|
168
|
YLB
|
0.434783
|
0.831325
|
169
|
YLC
|
0.434783
|
0.851852
|
170
|
U A G G
|
0.433566
|
0.921053
|
171
|
ATR
|
0.433333
|
0.90411
|
172
|
7MD
|
0.432836
|
0.851852
|
173
|
8X1
|
0.432
|
0.764045
|
174
|
G5A
|
0.429752
|
0.790698
|
175
|
PO4 PO4 A A A A PO4
|
0.429688
|
0.943662
|
176
|
TAD
|
0.42963
|
0.873418
|
177
|
5AS
|
0.42735
|
0.770115
|
178
|
BTX
|
0.426573
|
0.831325
|
179
|
YLA
|
0.425532
|
0.831325
|
180
|
DSZ
|
0.425197
|
0.790698
|
181
|
NCN
|
0.424779
|
0.805556
|
182
|
UPA
|
0.42446
|
0.921053
|
183
|
8PZ
|
0.424242
|
0.811765
|
184
|
VMS
|
0.424
|
0.8
|
185
|
54H
|
0.424
|
0.8
|
186
|
9K8
|
0.423077
|
0.744444
|
187
|
N0B
|
0.422819
|
0.853659
|
188
|
6AD
|
0.422764
|
0.85
|
189
|
AYB
|
0.422535
|
0.821429
|
190
|
7D3
|
0.422414
|
0.844156
|
191
|
YLY
|
0.421769
|
0.821429
|
192
|
TSB
|
0.420635
|
0.809524
|
193
|
ODP
|
0.41958
|
0.922078
|
194
|
AV2
|
0.419355
|
0.855263
|
195
|
FB0
|
0.419355
|
0.775281
|
196
|
A5A
|
0.419355
|
0.819277
|
197
|
NNR
|
0.419048
|
0.739726
|
198
|
A A A
|
0.418605
|
0.918919
|
199
|
U A
|
0.417808
|
0.946667
|
200
|
649
|
0.417266
|
0.775281
|
201
|
NMN AMP PO4
|
0.416667
|
0.933333
|
202
|
SSA
|
0.416
|
0.790698
|
203
|
P5A
|
0.415385
|
0.755556
|
204
|
LSS
|
0.414062
|
0.772727
|
205
|
A2R
|
0.412698
|
0.918919
|
206
|
52H
|
0.412698
|
0.790698
|
207
|
JB6
|
0.412214
|
0.896104
|
208
|
5N5
|
0.411215
|
0.783784
|
209
|
YSA
|
0.410448
|
0.811765
|
210
|
53H
|
0.409449
|
0.790698
|
211
|
5CA
|
0.409449
|
0.790698
|
212
|
ITT
|
0.408333
|
0.878378
|
213
|
7D4
|
0.408333
|
0.844156
|
214
|
NA7
|
0.407692
|
0.894737
|
215
|
LEU LMS
|
0.407692
|
0.784091
|
216
|
5CD
|
0.407407
|
0.794521
|
217
|
0WD
|
0.406897
|
0.909091
|
218
|
A3P
|
0.40678
|
0.930556
|
219
|
HFD
|
0.406504
|
0.883117
|
220
|
AVV
|
0.40625
|
0.860759
|
221
|
RAB
|
0.40566
|
0.808219
|
222
|
XYA
|
0.40566
|
0.808219
|
223
|
ADN
|
0.40566
|
0.808219
|
224
|
FDA
|
0.405063
|
0.823529
|
225
|
GSU
|
0.40458
|
0.790698
|
226
|
7MC
|
0.404255
|
0.831325
|
227
|
NSS
|
0.403101
|
0.811765
|
228
|
6FA
|
0.402516
|
0.853659
|
229
|
PPS
|
0.4
|
0.817073
|
230
|
NVA LMS
|
0.4
|
0.784091
|
This union binding pocket(no: 1) in the query (biounit: 3q2i.bio1) has 15 residues
|
No: |
Leader PDB |
Ligand |
Sequence Similarity
|
This union binding pocket(no: 2) in the query (biounit: 3q2i.bio1) has 15 residues
|
No: |
Leader PDB |
Ligand |
Sequence Similarity
|
This union binding pocket(no: 3) in the query (biounit: 3q2i.bio1) has 15 residues
|
No: |
Leader PDB |
Ligand |
Sequence Similarity
|
This union binding pocket(no: 4) in the query (biounit: 3q2i.bio1) has 15 residues
|
No: |
Leader PDB |
Ligand |
Sequence Similarity
|
This union binding pocket(no: 5) in the query (biounit: 3q2i.bio1) has 15 residues
|
No: |
Leader PDB |
Ligand |
Sequence Similarity
|
This union binding pocket(no: 7) in the query (biounit: 3q2i.bio1) has 15 residues
|
No: |
Leader PDB |
Ligand |
Sequence Similarity
|
This union binding pocket(no: 8) in the query (biounit: 3q2i.bio1) has 15 residues
|
No: |
Leader PDB |
Ligand |
Sequence Similarity
|
APoc FAQ
|
|