Found one PDB record: 1PTR
No: |
PDB id |
Binding Data |
Representative ligand |
Formula |
Smiles |
The Class containing this family consists of a total of 1 families.
|
1
|
6XI9
|
- |
V47
|
C19 H19 N5 O6
|
c1cc(cc(c1....
|
No: |
PDB id |
Binding Data |
Representative ligand |
Formula |
Smiles |
The Class containing this family consists of a total of 1 families.
|
1
|
6XI9
|
- |
V47
|
C19 H19 N5 O6
|
c1cc(cc(c1....
|
No: |
Ligand |
ECFP6 Tc |
MDL keys Tc
|
1
|
V47
|
1
|
1
|
2
|
5CD
|
0.5625
|
0.876923
|
3
|
6RE
|
0.551724
|
0.794521
|
4
|
GJV
|
0.550562
|
0.783784
|
5
|
XYA
|
0.544304
|
0.863636
|
6
|
ADN
|
0.544304
|
0.863636
|
7
|
RAB
|
0.544304
|
0.863636
|
8
|
J7C
|
0.539326
|
0.805556
|
9
|
5N5
|
0.530864
|
0.863636
|
10
|
A4D
|
0.52439
|
0.863636
|
11
|
EP4
|
0.52381
|
0.814286
|
12
|
DTA
|
0.517647
|
0.852941
|
13
|
AOC
|
0.511111
|
0.838235
|
14
|
R2V
|
0.509615
|
0.731707
|
15
|
M2T
|
0.5
|
0.791667
|
16
|
SON
|
0.5
|
0.8
|
17
|
SA8
|
0.494845
|
0.833333
|
18
|
MTA
|
0.494253
|
0.838235
|
19
|
5X8
|
0.489583
|
0.880597
|
20
|
SFG
|
0.489583
|
0.923077
|
21
|
KG4
|
0.489583
|
0.810811
|
22
|
A3N
|
0.48913
|
0.826087
|
23
|
AMP
|
0.488889
|
0.780822
|
24
|
A
|
0.488889
|
0.780822
|
25
|
LMS
|
0.488889
|
0.707317
|
26
|
NWW
|
0.488095
|
0.857143
|
27
|
F0P
|
0.486957
|
0.885714
|
28
|
KB1
|
0.485981
|
0.847222
|
29
|
OOB
|
0.485437
|
0.847222
|
30
|
QXP
|
0.485437
|
0.731707
|
31
|
GAP
|
0.484848
|
0.810811
|
32
|
AMP MG
|
0.483516
|
0.791667
|
33
|
3DH
|
0.483146
|
0.838235
|
34
|
EEM
|
0.48
|
0.810811
|
35
|
CA0
|
0.479167
|
0.810811
|
36
|
DSH
|
0.478261
|
0.805556
|
37
|
SAI
|
0.474747
|
0.869565
|
38
|
SAH
|
0.474747
|
0.882353
|
39
|
OZP
|
0.473684
|
0.885714
|
40
|
KOY
|
0.473684
|
0.925373
|
41
|
ABM
|
0.473118
|
0.76
|
42
|
45A
|
0.473118
|
0.76
|
43
|
A2D
|
0.473118
|
0.808219
|
44
|
ZAS
|
0.472527
|
0.802817
|
45
|
A6D
|
0.471698
|
0.753247
|
46
|
DND
|
0.469565
|
0.824324
|
47
|
4YB
|
0.469027
|
0.729412
|
48
|
AN2
|
0.46875
|
0.773333
|
49
|
S4M
|
0.468085
|
0.734177
|
50
|
SRA
|
0.467391
|
0.74026
|
51
|
8LE
|
0.465347
|
0.789474
|
52
|
V2G
|
0.465347
|
0.769231
|
53
|
A5D
|
0.464646
|
0.852941
|
54
|
5AD
|
0.463415
|
0.84127
|
55
|
AP2
|
0.463158
|
0.753247
|
56
|
MAO
|
0.463158
|
0.725
|
57
|
A12
|
0.463158
|
0.753247
|
58
|
BA3
|
0.463158
|
0.808219
|
59
|
DAL AMP
|
0.461538
|
0.821918
|
60
|
G5A
|
0.46
|
0.686047
|
61
|
B1U
|
0.459459
|
0.666667
|
62
|
H1Q
|
0.459184
|
0.77027
|
63
|
AP5
|
0.458333
|
0.808219
|
64
|
B4P
|
0.458333
|
0.808219
|
65
|
5AS
|
0.458333
|
0.666667
|
66
|
ADP
|
0.458333
|
0.783784
|
67
|
K15
|
0.457944
|
0.8
|
68
|
3UK
|
0.457944
|
0.835616
|
69
|
QXG
|
0.457944
|
0.722892
|
70
|
S7M
|
0.456311
|
0.810811
|
71
|
DQV
|
0.45614
|
0.821918
|
72
|
SAM
|
0.455446
|
0.810811
|
73
|
9SN
|
0.454545
|
0.792208
|
74
|
B5V
|
0.453704
|
0.824324
|
75
|
WAQ
|
0.453704
|
0.802632
|
76
|
AT4
|
0.453608
|
0.753247
|
77
|
ADP MG
|
0.453608
|
0.805556
|
78
|
ADP BEF
|
0.453608
|
0.805556
|
79
|
N37
|
0.452991
|
0.925373
|
80
|
5AL
|
0.45098
|
0.821918
|
81
|
8PZ
|
0.45045
|
0.705882
|
82
|
AGS
|
0.45
|
0.74359
|
83
|
APC MG
|
0.45
|
0.783784
|
84
|
9K8
|
0.449541
|
0.701149
|
85
|
M33
|
0.44898
|
0.773333
|
86
|
ADX
|
0.44898
|
0.707317
|
87
|
MHZ
|
0.44898
|
0.725
|
88
|
AU1
|
0.44898
|
0.763158
|
89
|
00A
|
0.448598
|
0.802632
|
90
|
62X
|
0.448598
|
0.779221
|
91
|
DLL
|
0.448598
|
0.847222
|
92
|
5CA
|
0.447619
|
0.686047
|
93
|
8LQ
|
0.447619
|
0.8
|
94
|
8X1
|
0.447619
|
0.681818
|
95
|
NEC
|
0.446809
|
0.808824
|
96
|
A3G
|
0.446809
|
0.84058
|
97
|
A5A
|
0.446602
|
0.710843
|
98
|
3AM
|
0.445652
|
0.743243
|
99
|
EU9
|
0.444444
|
0.775
|
100
|
HEJ
|
0.444444
|
0.783784
|
101
|
ATP
|
0.444444
|
0.783784
|
102
|
ACP
|
0.444444
|
0.763158
|
103
|
50T
|
0.444444
|
0.75
|
104
|
KXW
|
0.443478
|
0.859155
|
105
|
8QN
|
0.443396
|
0.821918
|
106
|
SMM
|
0.442308
|
0.779221
|
107
|
SSA
|
0.442308
|
0.686047
|
108
|
SRP
|
0.442308
|
0.8
|
109
|
8LH
|
0.442308
|
0.8
|
110
|
ANP
|
0.441176
|
0.763158
|
111
|
7D7
|
0.440476
|
0.779412
|
112
|
KAA
|
0.440367
|
0.681818
|
113
|
LAD
|
0.440367
|
0.782051
|
114
|
GSU
|
0.440367
|
0.72619
|
115
|
APC
|
0.44
|
0.753247
|
116
|
AQP
|
0.44
|
0.783784
|
117
|
AR6
|
0.44
|
0.808219
|
118
|
5FA
|
0.44
|
0.783784
|
119
|
PRX
|
0.44
|
0.763158
|
120
|
APR
|
0.44
|
0.808219
|
121
|
PAJ
|
0.439252
|
0.759494
|
122
|
DSZ
|
0.439252
|
0.705882
|
123
|
0UM
|
0.439252
|
0.821918
|
124
|
AMO
|
0.439252
|
0.8
|
125
|
4AD
|
0.439252
|
0.789474
|
126
|
AMP NAD
|
0.439024
|
0.847222
|
127
|
A7D
|
0.438776
|
0.84058
|
128
|
52H
|
0.438095
|
0.686047
|
129
|
VMS
|
0.438095
|
0.694118
|
130
|
54H
|
0.438095
|
0.694118
|
131
|
B5M
|
0.4375
|
0.813333
|
132
|
NAD TDB
|
0.436975
|
0.833333
|
133
|
NAD IBO
|
0.436975
|
0.833333
|
134
|
AAT
|
0.436893
|
0.783784
|
135
|
JB6
|
0.436364
|
0.779221
|
136
|
1ZZ
|
0.436364
|
0.7625
|
137
|
RBY
|
0.435644
|
0.776316
|
138
|
ADV
|
0.435644
|
0.776316
|
139
|
AD9
|
0.435644
|
0.763158
|
140
|
ATP MG
|
0.435644
|
0.805556
|
141
|
ADP PO3
|
0.435644
|
0.805556
|
142
|
NVA LMS
|
0.435185
|
0.681818
|
143
|
NWQ
|
0.434783
|
0.830769
|
144
|
53H
|
0.433962
|
0.686047
|
145
|
TSB
|
0.433962
|
0.702381
|
146
|
QA7
|
0.433962
|
0.789474
|
147
|
KYE
|
0.433628
|
0.789474
|
148
|
A3P
|
0.43299
|
0.780822
|
149
|
ATF
|
0.432692
|
0.753247
|
150
|
ALF ADP
|
0.432692
|
0.74359
|
151
|
MYR AMP
|
0.432432
|
0.7625
|
152
|
KY5
|
0.432432
|
0.830986
|
153
|
N5O
|
0.431579
|
0.826087
|
154
|
BEF ADP
|
0.431373
|
0.783784
|
155
|
A3T
|
0.43
|
0.865672
|
156
|
9ZA
|
0.429907
|
0.779221
|
157
|
9ZD
|
0.429907
|
0.779221
|
158
|
GEK
|
0.429907
|
0.871429
|
159
|
PR8
|
0.427273
|
0.772152
|
160
|
P5A
|
0.427273
|
0.674157
|
161
|
TAT
|
0.427184
|
0.753247
|
162
|
T99
|
0.427184
|
0.753247
|
163
|
ACQ
|
0.427184
|
0.763158
|
164
|
LSS
|
0.425926
|
0.670455
|
165
|
NSS
|
0.425926
|
0.686047
|
166
|
KYB
|
0.425926
|
0.763158
|
167
|
Y3J
|
0.425287
|
0.815385
|
168
|
FA5
|
0.424779
|
0.824324
|
169
|
B5Y
|
0.424779
|
0.813333
|
170
|
A3S
|
0.424242
|
0.852941
|
171
|
PTJ
|
0.423423
|
0.769231
|
172
|
3OD
|
0.423423
|
0.810811
|
173
|
TXA
|
0.423423
|
0.8
|
174
|
SXZ
|
0.423423
|
0.835616
|
175
|
N5A
|
0.42268
|
0.823529
|
176
|
AHX
|
0.422018
|
0.746835
|
177
|
K2H
|
0.422018
|
0.816901
|
178
|
XAH
|
0.421053
|
0.740741
|
179
|
YSA
|
0.421053
|
0.705882
|
180
|
KY2
|
0.420561
|
0.763158
|
181
|
MAP
|
0.420561
|
0.74359
|
182
|
A22
|
0.420561
|
0.797297
|
183
|
2AM
|
0.419355
|
0.733333
|
184
|
VO4 ADP
|
0.419048
|
0.763158
|
185
|
ANP MG
|
0.419048
|
0.773333
|
186
|
KH3
|
0.418803
|
0.789474
|
187
|
LEU LMS
|
0.418182
|
0.678161
|
188
|
OAD
|
0.418182
|
0.810811
|
189
|
AMP DBH
|
0.417391
|
0.786667
|
190
|
WSA
|
0.416667
|
0.714286
|
191
|
OZV
|
0.416667
|
0.783784
|
192
|
TYM
|
0.416667
|
0.824324
|
193
|
Q2P
|
0.416
|
0.813333
|
194
|
2VA
|
0.415842
|
0.84058
|
195
|
LAQ
|
0.415254
|
0.7625
|
196
|
6YZ
|
0.415094
|
0.763158
|
197
|
KY8
|
0.414414
|
0.808219
|
198
|
7C5
|
0.413793
|
0.859155
|
199
|
Q2M
|
0.413223
|
0.810811
|
200
|
8Q2
|
0.413223
|
0.681818
|
201
|
L3W
|
0.413223
|
0.776316
|
202
|
Q34
|
0.413223
|
0.813333
|
203
|
DZD
|
0.412698
|
0.759494
|
204
|
LPA AMP
|
0.411765
|
0.7625
|
205
|
HQG
|
0.411215
|
0.797297
|
206
|
M24
|
0.410853
|
0.772152
|
207
|
FYA
|
0.410714
|
0.773333
|
208
|
ME8
|
0.410714
|
0.7625
|
209
|
NB8
|
0.410714
|
0.769231
|
210
|
7MD
|
0.410256
|
0.7625
|
211
|
NAI
|
0.408333
|
0.779221
|
212
|
NAX
|
0.408333
|
0.772152
|
213
|
NVA 2AD
|
0.407767
|
0.819444
|
214
|
PAP
|
0.407767
|
0.77027
|
215
|
D3Y
|
0.407407
|
0.855072
|
216
|
9X8
|
0.405405
|
0.766234
|
217
|
649
|
0.404959
|
0.693182
|
218
|
NAD
|
0.404762
|
0.821918
|
219
|
SO8
|
0.403846
|
0.828571
|
220
|
25A
|
0.40367
|
0.808219
|
221
|
5SV
|
0.40367
|
0.725
|
222
|
HZ2
|
0.403361
|
0.835616
|
223
|
YLA
|
0.403226
|
0.743902
|
224
|
Q2V
|
0.403226
|
0.847222
|
225
|
YLB
|
0.401639
|
0.743902
|
226
|
YLP
|
0.4
|
0.743902
|
227
|
CNA
|
0.4
|
0.8
|
228
|
ATP A A A
|
0.4
|
0.819444
|
229
|
K3K
|
0.4
|
0.816901
|
230
|
U4Y
|
0.4
|
0.898551
|
231
|
A3R
|
0.4
|
0.734177
|
232
|
ADQ
|
0.4
|
0.810811
|
233
|
A1R
|
0.4
|
0.734177
|
234
|
ATP A
|
0.4
|
0.819444
|
No: |
Ligand |
Similarity coefficient |
This union binding pocket(no: 1) in the query (biounit: 6xi9.bio2) has 24 residues
|
No: |
Leader PDB |
Ligand |
Sequence Similarity
|
This union binding pocket(no: 2) in the query (biounit: 6xi9.bio1) has 23 residues
|
No: |
Leader PDB |
Ligand |
Sequence Similarity
|
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