Found one PDB record: 4N9D
No: |
Ligand |
ECFP6 Tc |
MDL keys Tc
|
1
|
COA
|
1
|
1
|
2
|
0T1
|
0.894737
|
0.976744
|
3
|
DCA
|
0.893805
|
0.954023
|
4
|
COS
|
0.887931
|
0.977012
|
5
|
ETB
|
0.877193
|
0.920455
|
6
|
30N
|
0.871795
|
0.913979
|
7
|
CAO
|
0.871795
|
0.965909
|
8
|
AMX
|
0.871795
|
0.988235
|
9
|
SCO
|
0.864407
|
0.976744
|
10
|
CMX
|
0.864407
|
0.976744
|
11
|
ACO
|
0.857143
|
0.965909
|
12
|
FCX
|
0.857143
|
0.94382
|
13
|
FAM
|
0.857143
|
0.954545
|
14
|
HAX
|
0.85
|
0.954545
|
15
|
FYN
|
0.842975
|
1
|
16
|
3KK
|
0.842975
|
0.977012
|
17
|
OXK
|
0.836066
|
0.977012
|
18
|
KGP
|
0.836066
|
0.885417
|
19
|
SOP
|
0.836066
|
0.977012
|
20
|
YZS
|
0.836066
|
0.885417
|
21
|
COK
|
0.836066
|
0.977012
|
22
|
MCD
|
0.836066
|
0.954545
|
23
|
CA6
|
0.836066
|
0.885417
|
24
|
1VU
|
0.829268
|
0.965909
|
25
|
CMC
|
0.829268
|
0.977012
|
26
|
CO6
|
0.829268
|
0.977012
|
27
|
NMX
|
0.829268
|
0.903226
|
28
|
CAJ
|
0.822581
|
0.954545
|
29
|
2MC
|
0.822581
|
0.934066
|
30
|
SCD
|
0.822581
|
0.976744
|
31
|
2CP
|
0.81746
|
0.965909
|
32
|
3HC
|
0.816
|
0.988372
|
33
|
KGJ
|
0.816
|
0.893617
|
34
|
A1S
|
0.816
|
0.977012
|
35
|
MLC
|
0.816
|
0.977012
|
36
|
BCO
|
0.816
|
0.977012
|
37
|
IVC
|
0.816
|
0.988372
|
38
|
1HE
|
0.816
|
0.955056
|
39
|
COD
|
0.810345
|
0.988235
|
40
|
CAA
|
0.809524
|
0.988372
|
41
|
MCA
|
0.809524
|
0.965909
|
42
|
SO5
|
0.809524
|
0.876289
|
43
|
YE1
|
0.809524
|
0.965517
|
44
|
COO
|
0.809524
|
0.977012
|
45
|
LCV
|
0.809524
|
0.876289
|
46
|
YXS
|
0.80315
|
0.885417
|
47
|
MC4
|
0.80315
|
0.923913
|
48
|
YXR
|
0.80315
|
0.885417
|
49
|
SCA
|
0.80315
|
0.977012
|
50
|
KGA
|
0.796875
|
0.884211
|
51
|
HGG
|
0.796875
|
0.977012
|
52
|
BYC
|
0.796875
|
0.977012
|
53
|
3CP
|
0.796875
|
0.977012
|
54
|
COW
|
0.796875
|
0.965909
|
55
|
CA8
|
0.796875
|
0.885417
|
56
|
1GZ
|
0.796875
|
0.965909
|
57
|
KFV
|
0.796875
|
0.894737
|
58
|
IRC
|
0.796875
|
0.988372
|
59
|
COF
|
0.796875
|
0.955056
|
60
|
2KQ
|
0.796875
|
0.955056
|
61
|
4CA
|
0.790698
|
0.965909
|
62
|
FAQ
|
0.790698
|
0.977012
|
63
|
BCA
|
0.790698
|
0.965909
|
64
|
HXC
|
0.784615
|
0.955056
|
65
|
GRA
|
0.784615
|
0.977012
|
66
|
1CV
|
0.781955
|
0.977012
|
67
|
TGC
|
0.778626
|
0.965909
|
68
|
1CZ
|
0.772727
|
0.965909
|
69
|
S0N
|
0.772727
|
0.954545
|
70
|
CO8
|
0.772727
|
0.955056
|
71
|
2NE
|
0.772727
|
0.955056
|
72
|
CIC
|
0.772727
|
0.977012
|
73
|
MYA
|
0.766917
|
0.955056
|
74
|
0FQ
|
0.766917
|
0.977012
|
75
|
DCC
|
0.766917
|
0.955056
|
76
|
5F9
|
0.766917
|
0.955056
|
77
|
UCC
|
0.766917
|
0.955056
|
78
|
MFK
|
0.766917
|
0.955056
|
79
|
ST9
|
0.766917
|
0.955056
|
80
|
4CO
|
0.766917
|
0.965909
|
81
|
01A
|
0.761194
|
0.934066
|
82
|
0ET
|
0.761194
|
0.955056
|
83
|
CS8
|
0.755556
|
0.944444
|
84
|
WCA
|
0.755556
|
0.955056
|
85
|
NHW
|
0.75
|
0.955056
|
86
|
HDC
|
0.75
|
0.955056
|
87
|
NHM
|
0.75
|
0.955056
|
88
|
4KX
|
0.75
|
0.944444
|
89
|
UOQ
|
0.75
|
0.955056
|
90
|
HFQ
|
0.744526
|
0.955056
|
91
|
MRS
|
0.744526
|
0.955056
|
92
|
MRR
|
0.744526
|
0.955056
|
93
|
J5H
|
0.73913
|
0.977012
|
94
|
YNC
|
0.73913
|
0.965909
|
95
|
DAK
|
0.73913
|
0.944444
|
96
|
COA FLC
|
0.736
|
0.965116
|
97
|
8Z2
|
0.733813
|
0.944444
|
98
|
NHQ
|
0.723404
|
0.988372
|
99
|
F8G
|
0.715278
|
0.913979
|
100
|
1HA
|
0.713287
|
0.955056
|
101
|
01K
|
0.708333
|
0.977012
|
102
|
COT
|
0.703448
|
0.977012
|
103
|
CCQ
|
0.695652
|
0.934066
|
104
|
CA3
|
0.693878
|
0.977012
|
105
|
7L1
|
0.692308
|
0.965909
|
106
|
RMW
|
0.682119
|
0.955056
|
107
|
CA5
|
0.671053
|
0.934066
|
108
|
93P
|
0.666667
|
0.965909
|
109
|
UCA
|
0.666667
|
0.955056
|
110
|
CO7
|
0.664234
|
0.977012
|
111
|
N9V
|
0.647887
|
0.922222
|
112
|
93M
|
0.64557
|
0.965909
|
113
|
OXT
|
0.634146
|
0.913979
|
114
|
4BN
|
0.607143
|
0.913979
|
115
|
5TW
|
0.607143
|
0.913979
|
116
|
BUA COA
|
0.605634
|
0.943182
|
117
|
PAP
|
0.603604
|
0.811765
|
118
|
JBT
|
0.598837
|
0.894737
|
119
|
BSJ
|
0.592814
|
0.944444
|
120
|
6NA COA
|
0.585034
|
0.922222
|
121
|
HMG
|
0.581081
|
0.943182
|
122
|
MYR COA
|
0.573333
|
0.922222
|
123
|
EO3 COA
|
0.573333
|
0.922222
|
124
|
DAO COA
|
0.573333
|
0.922222
|
125
|
DCR COA
|
0.573333
|
0.922222
|
126
|
X90 COA
|
0.573333
|
0.922222
|
127
|
DKA COA
|
0.573333
|
0.922222
|
128
|
PLM COA
|
0.573333
|
0.922222
|
129
|
A3P
|
0.54955
|
0.8
|
130
|
PPS
|
0.547009
|
0.752688
|
131
|
ASP ASP ASP ILE NH2 CMC
|
0.536585
|
0.932584
|
132
|
0WD
|
0.521739
|
0.788889
|
133
|
SFC
|
0.490683
|
0.955056
|
134
|
RFC
|
0.490683
|
0.955056
|
135
|
ACE SER ASP ALY THR NH2 COA
|
0.483333
|
0.932584
|
136
|
3AM
|
0.482143
|
0.788235
|
137
|
PTJ
|
0.48062
|
0.872093
|
138
|
MET VAL ASN ALA CMC
|
0.480447
|
0.932584
|
139
|
4PS
|
0.477477
|
0.682353
|
140
|
5AD NJS
|
0.47619
|
0.913043
|
141
|
A22
|
0.468254
|
0.813953
|
142
|
A2D
|
0.465517
|
0.802326
|
143
|
PUA
|
0.462585
|
0.820225
|
144
|
PAJ
|
0.460938
|
0.883721
|
145
|
HQG
|
0.460317
|
0.813953
|
146
|
ATR
|
0.459016
|
0.8
|
147
|
AGS
|
0.459016
|
0.806818
|
148
|
3OD
|
0.458015
|
0.825581
|
149
|
ADP
|
0.453782
|
0.823529
|
150
|
9BG
|
0.451389
|
0.788889
|
151
|
A2R
|
0.448819
|
0.813953
|
152
|
8LE
|
0.448
|
0.848837
|
153
|
ACE MET LEU GLY PRO NH2 COA
|
0.447917
|
0.932584
|
154
|
UBG
|
0.447853
|
0.844444
|
155
|
BA3
|
0.445378
|
0.802326
|
156
|
OAD
|
0.442748
|
0.825581
|
157
|
NA7
|
0.442748
|
0.858824
|
158
|
ATP
|
0.442623
|
0.823529
|
159
|
HEJ
|
0.442623
|
0.823529
|
160
|
AP5
|
0.441667
|
0.802326
|
161
|
B4P
|
0.441667
|
0.802326
|
162
|
5FA
|
0.439024
|
0.823529
|
163
|
2A5
|
0.439024
|
0.847059
|
164
|
APR
|
0.439024
|
0.802326
|
165
|
AR6
|
0.439024
|
0.802326
|
166
|
AQP
|
0.439024
|
0.823529
|
167
|
AT4
|
0.438017
|
0.816092
|
168
|
AN2
|
0.438017
|
0.813953
|
169
|
48N
|
0.435714
|
0.808989
|
170
|
JNT
|
0.435115
|
0.847059
|
171
|
M33
|
0.434426
|
0.813953
|
172
|
QA7
|
0.434109
|
0.848837
|
173
|
8LQ
|
0.434109
|
0.837209
|
174
|
9X8
|
0.431818
|
0.806818
|
175
|
SRP
|
0.429688
|
0.837209
|
176
|
ANP
|
0.428571
|
0.804598
|
177
|
ADQ
|
0.427481
|
0.804598
|
178
|
YLB
|
0.426573
|
0.908046
|
179
|
YLP
|
0.425532
|
0.886364
|
180
|
5AL
|
0.425197
|
0.813953
|
181
|
7D3
|
0.425
|
0.793103
|
182
|
AD9
|
0.424
|
0.804598
|
183
|
APU
|
0.423611
|
0.786517
|
184
|
CA0
|
0.422764
|
0.804598
|
185
|
7D4
|
0.422764
|
0.793103
|
186
|
25L
|
0.422222
|
0.813953
|
187
|
ATF
|
0.421875
|
0.795455
|
188
|
F2R
|
0.421769
|
0.865169
|
189
|
NJP
|
0.421769
|
0.806818
|
190
|
A2P
|
0.421488
|
0.788235
|
191
|
8QN
|
0.419847
|
0.813953
|
192
|
PNS
|
0.419643
|
0.682353
|
193
|
ACP
|
0.419355
|
0.825581
|
194
|
KG4
|
0.419355
|
0.804598
|
195
|
8LH
|
0.418605
|
0.837209
|
196
|
J4G
|
0.41791
|
0.848837
|
197
|
NDP
|
0.417808
|
0.788889
|
198
|
ACQ
|
0.417323
|
0.825581
|
199
|
A1R
|
0.416667
|
0.882353
|
200
|
ATP A
|
0.416058
|
0.770115
|
201
|
ATP A A A
|
0.416058
|
0.770115
|
202
|
AMP
|
0.415254
|
0.8
|
203
|
A
|
0.415254
|
0.8
|
204
|
1ZZ
|
0.414815
|
0.842697
|
205
|
TXA
|
0.414815
|
0.816092
|
206
|
FYA
|
0.414815
|
0.813953
|
207
|
NB8
|
0.414815
|
0.808989
|
208
|
00A
|
0.413534
|
0.758242
|
209
|
DLL
|
0.413534
|
0.793103
|
210
|
AHX
|
0.413534
|
0.829545
|
211
|
PAX
|
0.412903
|
0.793478
|
212
|
DQV
|
0.411348
|
0.813953
|
213
|
OMR
|
0.409722
|
0.853933
|
214
|
9ZD
|
0.409091
|
0.818182
|
215
|
25A
|
0.409091
|
0.802326
|
216
|
9ZA
|
0.409091
|
0.818182
|
217
|
OOB
|
0.409091
|
0.793103
|
218
|
NPW
|
0.408163
|
0.822222
|
219
|
6YZ
|
0.407692
|
0.825581
|
220
|
WAQ
|
0.407407
|
0.860465
|
221
|
TAT
|
0.40625
|
0.816092
|
222
|
T99
|
0.40625
|
0.816092
|
223
|
4AD
|
0.406015
|
0.827586
|
224
|
AMO
|
0.406015
|
0.837209
|
225
|
A3R
|
0.406015
|
0.882353
|
226
|
B5Y
|
0.405797
|
0.786517
|
227
|
FA5
|
0.405797
|
0.816092
|
228
|
KMQ
|
0.405797
|
0.795455
|
229
|
TXP
|
0.405405
|
0.829545
|
230
|
45A
|
0.404959
|
0.781609
|
231
|
ABM
|
0.404959
|
0.781609
|
232
|
PRX
|
0.404762
|
0.825581
|
233
|
ME8
|
0.404412
|
0.842697
|
234
|
BIS
|
0.404412
|
0.818182
|
235
|
AFH
|
0.404255
|
0.78022
|
236
|
J7V
|
0.403846
|
0.778947
|
237
|
LQJ
|
0.402878
|
0.781609
|
238
|
NAI
|
0.402778
|
0.777778
|
239
|
ODP
|
0.402685
|
0.78022
|
240
|
DAL AMP
|
0.401515
|
0.793103
|
241
|
SRA
|
0.4
|
0.784091
|
242
|
ADX
|
0.4
|
0.752688
|
243
|
AU1
|
0.4
|
0.804598
|
No: |
Ligand |
Similarity coefficient |
This union binding pocket(no: 1) in the query (biounit: 6j1j.bio1) has 18 residues
|
No: |
Leader PDB |
Ligand |
Sequence Similarity
|
This union binding pocket(no: 2) in the query (biounit: 6j1j.bio1) has 43 residues
|
No: |
Leader PDB |
Ligand |
Sequence Similarity
|
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