Receptor
PDB id Resolution Class Description Source Keywords
6RC3 2.32 Å EC: 2.7.1.23 CRYSTAL STRUCTURE OF NAD KINASE 1 FROM LISTERIA MONOCYTOGENE COMPLEXE WITH AN ADENINE DERIVATIVE LISTERIA MONOCYTOGENES EGD-E TETRAMERIC NAD KINASE TRANSFERASE
Ref.: FROM SUBSTRATE TO FRAGMENTS TO INHIBITOR ACTIVEIN VIVOAGAINSTSTAPHYLOCOCCUS AUREUS. ACS INFECT DIS. V. 6 422 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:302;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
JXW A:303;
 Valid;
 none;
 submit data
211.651 C8 H10 Cl N5 Cc1nc...
CIT A:301;
 Invalid;
 none;
 submit data
192.124 C6 H8 O7 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5DHU 2.33 Å EC: 2.7.1.23 CRYSTAL STRUCTURE OF NAD KINASE 1 FROM LISTERIA MONOCYTOGENE COMPLEX WITH A NOVEL INHIBITOR LISTERIA MONOCYTOGENES SEROVAR 1/2A (SATCC BAA-679 / EGD-E) TETRAMERIC NAD KINASE TRANSFERASE
Ref.: 8-THIOALKYL-ADENOSINE DERIVATIVES INHIBIT LISTERIA MONOCYTOGENES NAD KINASE THROUGH A NOVEL BINDING MO EUR.J.MED.CHEM. V. 124 1041 2016
Members (45)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3V7Y - A3N C13 H16 N6 O3 C#CCNC[C@@....
2 2Q5F Ki = 0.02 mM DTA C20 H24 N10 O6 S2 c1nc(c2c(n....
3 6RGD - K2W C24 H29 N11 O7 c1nc(c2c(n....
4 3V8M - Z8B C10 H11 Br N8 O3 c1nc(c2c(n....
5 6RC5 - JYB C9 H9 N5 CCn1c(nc2c....
6 6RBX - JYT C8 H10 Br N5 O c1nc(c2c(n....
7 3V8P - ZNB C22 H26 Br N14 O7 S c1nc(c2c(n....
8 3V7W - ZAS C10 H13 N8 O3 c1nc(c2c(n....
9 6RBO - JXQ C11 H13 N5 C#CCCCCn1c....
10 4DY6 - A22 C20 H27 N10 O16 P3 c1nc(c2c(n....
11 6RR2 - MTA C11 H15 N5 O3 S CSC[C@@H]1....
12 3V80 - AOC C13 H15 N5 O4 C#CCOC[C@@....
13 2I2A Ki = 0.04 mM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
14 6RG8 - K2K C19 H21 N11 O3 c1nc(c2c(n....
15 6RBV - JYE C8 H9 Br N8 c1nc(c2c(n....
16 2I2D - A2D C20 H26 N10 O13 P2 c1nc(c2c(n....
17 6RGB - K38 C23 H27 N11 O7 c1nc(c2c(n....
18 5DHQ Ki = 2 uM 5AK C20 H23 Br N6 O5 S c1cc(cc(c1....
19 3V8R - 5NB C10 H13 Br N6 O3 c1nc(c2c(n....
20 2I2C Ki = 0.02 mM DTA C20 H24 N10 O6 S2 c1nc(c2c(n....
21 6RGC - K3H C24 H29 N11 O7 CN(CC#Cc1n....
22 6RBU - JYK C7 H7 Br N8 c1nc(c2c(n....
23 2I2F - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 6RBY - JYW C9 H12 Br N5 O c1nc(c2c(n....
25 2I29 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
26 6RC3 - JXW C8 H10 Cl N5 Cc1nc2c(nc....
27 3V8Q - 5N5 C10 H14 N6 O3 c1nc(c2c(n....
28 6RBP - JYN C9 H12 N8 c1nc(c2c(n....
29 6RC4 - JXZ C8 H11 N5 O Cc1nc2c(nc....
30 6RBS - JXT C10 H10 Br N5 C#CCCCn1c2....
31 6RBR - JXN C7 H8 Br N5 CCn1c2c(c(....
32 6RG9 - K3K C23 H26 N10 O8 c1nc(c2c(n....
33 2I2B - CC5 C9 H11 N5 O3 c1nc(c2c(n....
34 5DHR Ki = 23 uM 5AJ C21 H23 N11 O4 S c1ccc2c(c1....
35 6RGA - K3E C23 H27 N11 O7 c1nc(c2c(n....
36 6RBW - JXB C9 H11 Br N8 c1nc(c2c(n....
37 6RBQ - JYQ C11 H15 N5 O S CC(=O)SCCC....
38 6RBZ - JXK C8 H11 Br N6 c1nc(c2c(n....
39 3V8N - 5NB C10 H13 Br N6 O3 c1nc(c2c(n....
40 5DHP Ki = 140 uM 5AQ C20 H24 N6 O5 S c1ccc(cc1)....
41 6RC2 - JY2 C11 H13 N5 Cc1nc2c(nc....
42 6RG7 - K2H C19 H21 N11 O3 CN(CC#Cc1[....
43 5DHU Ki = 0.5 uM 5A8 C22 H24 N10 O4 S c1ccc2c(c1....
44 6RC6 - JY5 C13 H15 N5 O2 c1nc(c2c(n....
45 3V7U - MTA C11 H15 N5 O3 S CSC[C@@H]1....
70% Homology Family (45)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3V7Y - A3N C13 H16 N6 O3 C#CCNC[C@@....
2 2Q5F Ki = 0.02 mM DTA C20 H24 N10 O6 S2 c1nc(c2c(n....
3 6RGD - K2W C24 H29 N11 O7 c1nc(c2c(n....
4 3V8M - Z8B C10 H11 Br N8 O3 c1nc(c2c(n....
5 6RC5 - JYB C9 H9 N5 CCn1c(nc2c....
6 6RBX - JYT C8 H10 Br N5 O c1nc(c2c(n....
7 3V8P - ZNB C22 H26 Br N14 O7 S c1nc(c2c(n....
8 3V7W - ZAS C10 H13 N8 O3 c1nc(c2c(n....
9 6RBO - JXQ C11 H13 N5 C#CCCCCn1c....
10 4DY6 - A22 C20 H27 N10 O16 P3 c1nc(c2c(n....
11 6RR2 - MTA C11 H15 N5 O3 S CSC[C@@H]1....
12 3V80 - AOC C13 H15 N5 O4 C#CCOC[C@@....
13 2I2A Ki = 0.04 mM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
14 6RG8 - K2K C19 H21 N11 O3 c1nc(c2c(n....
15 6RBV - JYE C8 H9 Br N8 c1nc(c2c(n....
16 2I2D - A2D C20 H26 N10 O13 P2 c1nc(c2c(n....
17 6RGB - K38 C23 H27 N11 O7 c1nc(c2c(n....
18 5DHQ Ki = 2 uM 5AK C20 H23 Br N6 O5 S c1cc(cc(c1....
19 3V8R - 5NB C10 H13 Br N6 O3 c1nc(c2c(n....
20 2I2C Ki = 0.02 mM DTA C20 H24 N10 O6 S2 c1nc(c2c(n....
21 6RGC - K3H C24 H29 N11 O7 CN(CC#Cc1n....
22 6RBU - JYK C7 H7 Br N8 c1nc(c2c(n....
23 2I2F - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 6RBY - JYW C9 H12 Br N5 O c1nc(c2c(n....
25 2I29 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
26 6RC3 - JXW C8 H10 Cl N5 Cc1nc2c(nc....
27 3V8Q - 5N5 C10 H14 N6 O3 c1nc(c2c(n....
28 6RBP - JYN C9 H12 N8 c1nc(c2c(n....
29 6RC4 - JXZ C8 H11 N5 O Cc1nc2c(nc....
30 6RBS - JXT C10 H10 Br N5 C#CCCCn1c2....
31 6RBR - JXN C7 H8 Br N5 CCn1c2c(c(....
32 6RG9 - K3K C23 H26 N10 O8 c1nc(c2c(n....
33 2I2B - CC5 C9 H11 N5 O3 c1nc(c2c(n....
34 5DHR Ki = 23 uM 5AJ C21 H23 N11 O4 S c1ccc2c(c1....
35 6RGA - K3E C23 H27 N11 O7 c1nc(c2c(n....
36 6RBW - JXB C9 H11 Br N8 c1nc(c2c(n....
37 6RBQ - JYQ C11 H15 N5 O S CC(=O)SCCC....
38 6RBZ - JXK C8 H11 Br N6 c1nc(c2c(n....
39 3V8N - 5NB C10 H13 Br N6 O3 c1nc(c2c(n....
40 5DHP Ki = 140 uM 5AQ C20 H24 N6 O5 S c1ccc(cc1)....
41 6RC2 - JY2 C11 H13 N5 Cc1nc2c(nc....
42 6RG7 - K2H C19 H21 N11 O3 CN(CC#Cc1[....
43 5DHU Ki = 0.5 uM 5A8 C22 H24 N10 O4 S c1ccc2c(c1....
44 6RC6 - JY5 C13 H15 N5 O2 c1nc(c2c(n....
45 3V7U - MTA C11 H15 N5 O3 S CSC[C@@H]1....
50% Homology Family (45)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3V7Y - A3N C13 H16 N6 O3 C#CCNC[C@@....
2 2Q5F Ki = 0.02 mM DTA C20 H24 N10 O6 S2 c1nc(c2c(n....
3 6RGD - K2W C24 H29 N11 O7 c1nc(c2c(n....
4 3V8M - Z8B C10 H11 Br N8 O3 c1nc(c2c(n....
5 6RC5 - JYB C9 H9 N5 CCn1c(nc2c....
6 6RBX - JYT C8 H10 Br N5 O c1nc(c2c(n....
7 3V8P - ZNB C22 H26 Br N14 O7 S c1nc(c2c(n....
8 3V7W - ZAS C10 H13 N8 O3 c1nc(c2c(n....
9 6RBO - JXQ C11 H13 N5 C#CCCCCn1c....
10 4DY6 - A22 C20 H27 N10 O16 P3 c1nc(c2c(n....
11 6RR2 - MTA C11 H15 N5 O3 S CSC[C@@H]1....
12 3V80 - AOC C13 H15 N5 O4 C#CCOC[C@@....
13 2I2A Ki = 0.04 mM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
14 6RG8 - K2K C19 H21 N11 O3 c1nc(c2c(n....
15 6RBV - JYE C8 H9 Br N8 c1nc(c2c(n....
16 2I2D - A2D C20 H26 N10 O13 P2 c1nc(c2c(n....
17 6RGB - K38 C23 H27 N11 O7 c1nc(c2c(n....
18 5DHQ Ki = 2 uM 5AK C20 H23 Br N6 O5 S c1cc(cc(c1....
19 3V8R - 5NB C10 H13 Br N6 O3 c1nc(c2c(n....
20 2I2C Ki = 0.02 mM DTA C20 H24 N10 O6 S2 c1nc(c2c(n....
21 6RGC - K3H C24 H29 N11 O7 CN(CC#Cc1n....
22 6RBU - JYK C7 H7 Br N8 c1nc(c2c(n....
23 2I2F - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 6RBY - JYW C9 H12 Br N5 O c1nc(c2c(n....
25 2I29 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
26 6RC3 - JXW C8 H10 Cl N5 Cc1nc2c(nc....
27 3V8Q - 5N5 C10 H14 N6 O3 c1nc(c2c(n....
28 6RBP - JYN C9 H12 N8 c1nc(c2c(n....
29 6RC4 - JXZ C8 H11 N5 O Cc1nc2c(nc....
30 6RBS - JXT C10 H10 Br N5 C#CCCCn1c2....
31 6RBR - JXN C7 H8 Br N5 CCn1c2c(c(....
32 6RG9 - K3K C23 H26 N10 O8 c1nc(c2c(n....
33 2I2B - CC5 C9 H11 N5 O3 c1nc(c2c(n....
34 5DHR Ki = 23 uM 5AJ C21 H23 N11 O4 S c1ccc2c(c1....
35 6RGA - K3E C23 H27 N11 O7 c1nc(c2c(n....
36 6RBW - JXB C9 H11 Br N8 c1nc(c2c(n....
37 6RBQ - JYQ C11 H15 N5 O S CC(=O)SCCC....
38 6RBZ - JXK C8 H11 Br N6 c1nc(c2c(n....
39 3V8N - 5NB C10 H13 Br N6 O3 c1nc(c2c(n....
40 5DHP Ki = 140 uM 5AQ C20 H24 N6 O5 S c1ccc(cc1)....
41 6RC2 - JY2 C11 H13 N5 Cc1nc2c(nc....
42 6RG7 - K2H C19 H21 N11 O3 CN(CC#Cc1[....
43 5DHU Ki = 0.5 uM 5A8 C22 H24 N10 O4 S c1ccc2c(c1....
44 6RC6 - JY5 C13 H15 N5 O2 c1nc(c2c(n....
45 3V7U - MTA C11 H15 N5 O3 S CSC[C@@H]1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: JXW; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 JXW 1 1
2 JXZ 0.73913 0.8
3 JY2 0.62963 0.897959
4 JXN 0.444444 0.803922
5 JYB 0.428571 0.816327
6 JXK 0.40678 0.763636
7 JYT 0.40678 0.688525
Similar Ligands (3D)
Ligand no: 1; Ligand: JXW; Similar ligands found: 620
No: Ligand Similarity coefficient
1 AJV 0.9601
2 0W8 0.9511
3 0LH 0.9460
4 TSS 0.9430
5 SRO 0.9419
6 1KP 0.9419
7 JYW 0.9413
8 5WU 0.9412
9 HA7 0.9393
10 GSY 0.9381
11 ARP 0.9366
12 PQ0 0.9356
13 APS 0.9350
14 9LI 0.9348
15 2EC 0.9341
16 RZH 0.9331
17 PRF 0.9316
18 M0Q 0.9306
19 PH2 0.9298
20 E35 0.9276
21 PQK 0.9276
22 JYK 0.9262
23 EV3 0.9251
24 KJY 0.9245
25 C2Y 0.9245
26 2K8 0.9237
27 TSR 0.9237
28 LT2 0.9231
29 JXT 0.9228
30 MQB 0.9218
31 DIU 0.9218
32 HHR 0.9216
33 7MX 0.9215
34 7HQ 0.9200
35 PQZ 0.9196
36 ZZZ 0.9195
37 8S0 0.9193
38 5RO 0.9192
39 5NS 0.9189
40 IAC 0.9185
41 TOF 0.9184
42 7B4 0.9181
43 6VD 0.9175
44 32X 0.9172
45 5RN 0.9170
46 LZM 0.9169
47 B62 0.9161
48 E7Z 0.9156
49 7B3 0.9152
50 E7R 0.9151
51 HH8 0.9149
52 UAN 0.9149
53 N8Y 0.9147
54 M6N 0.9145
55 4AV 0.9145
56 57O 0.9142
57 44V 0.9142
58 BGC 0.9141
59 MUA 0.9141
60 42A 0.9141
61 DHQ 0.9138
62 DBJ 0.9137
63 RM1 0.9135
64 ES7 0.9134
65 FXH 0.9133
66 ONZ 0.9128
67 2LY 0.9126
68 6ME 0.9126
69 KKN 0.9125
70 GXY 0.9123
71 CTS 0.9123
72 OIA 0.9122
73 AZ8 0.9121
74 ISN 0.9121
75 JU2 0.9121
76 4XH 0.9120
77 FLV 0.9116
78 KW8 0.9113
79 UNC 0.9112
80 2AK 0.9111
81 DQU 0.9109
82 1QP 0.9108
83 NVU 0.9106
84 CFF 0.9105
85 N2I 0.9105
86 92P 0.9104
87 LZ2 0.9100
88 QX4 0.9094
89 KT7 0.9094
90 NID 0.9090
91 M5N 0.9088
92 2FY 0.9088
93 8GK 0.9087
94 G3F 0.9087
95 X8D 0.9086
96 EGR 0.9084
97 GCS 0.9083
98 1X7 0.9077
99 GLC 0.9075
100 C2U 0.9073
101 MIG 0.9070
102 1U6 0.9070
103 5WX 0.9068
104 PYQ 0.9067
105 INE 0.9066
106 2KA 0.9065
107 7W4 0.9061
108 OTW 0.9059
109 5WY 0.9047
110 JUG 0.9046
111 0XT 0.9043
112 AC2 0.9041
113 0P6 0.9039
114 DIN 0.9034
115 KWH 0.9032
116 BZ3 0.9028
117 1NP 0.9026
118 A7W 0.9025
119 MAG 0.9024
120 YSO 0.9021
121 FOT 0.9019
122 I6G 0.9019
123 L99 0.9018
124 GT0 0.9018
125 GAL 0.9014
126 GC2 0.9014
127 XM5 0.9013
128 N5J 0.9011
129 5NE 0.9010
130 LDP 0.9009
131 AZ9 0.9008
132 7ZE 0.9003
133 WOO 0.9003
134 5OB 0.9002
135 5WV 0.9001
136 28N 0.9001
137 G1O 0.8999
138 B60 0.8998
139 5IQ 0.8998
140 3M0 0.8997
141 8XL 0.8997
142 NDM 0.8995
143 I3A 0.8995
144 XDE 0.8995
145 HQY 0.8994
146 9BF 0.8993
147 4MU 0.8992
148 FDB 0.8991
149 JBH 0.8990
150 JPZ 0.8990
151 3DO 0.8989
152 ES1 0.8989
153 CWS 0.8987
154 1XN 0.8982
155 IOS 0.8980
156 NLA 0.8978
157 NAG 0.8978
158 5Q0 0.8978
159 3Z8 0.8976
160 GCW 0.8975
161 EOL 0.8973
162 MFZ 0.8973
163 8CM 0.8972
164 H7Y 0.8972
165 QWN 0.8971
166 NFM 0.8971
167 OA3 0.8970
168 IJZ 0.8969
169 HJP 0.8969
170 FSW 0.8969
171 LGC 0.8968
172 EVA 0.8967
173 LZB 0.8967
174 5SG 0.8965
175 3F0 0.8965
176 SYA 0.8957
177 B56 0.8957
178 ALL 0.8956
179 OTD 0.8954
180 KIB 0.8951
181 IBM 0.8950
182 3HA 0.8949
183 BB4 0.8948
184 PHH 0.8948
185 MAQ 0.8947
186 DBH 0.8947
187 DRL 0.8947
188 IOP 0.8946
189 SYV 0.8945
190 8WO 0.8945
191 6BL 0.8942
192 3MB 0.8938
193 BDP 0.8938
194 F95 0.8938
195 2A9 0.8936
196 XHP 0.8935
197 ZVO 0.8934
198 44W 0.8933
199 DMD 0.8930
200 KUF 0.8930
201 HKD 0.8929
202 MVL 0.8929
203 25W 0.8928
204 3R6 0.8925
205 EYA 0.8922
206 JBQ 0.8920
207 6M9 0.8918
208 6M4 0.8916
209 QPR 0.8914
210 OVM 0.8912
211 Q7A 0.8912
212 2MN 0.8912
213 G6D 0.8911
214 EYM 0.8908
215 DNA 0.8907
216 9PY 0.8907
217 ASC 0.8905
218 ADZ 0.8905
219 LNR 0.8904
220 NTZ 0.8904
221 GTZ 0.8903
222 7ZC 0.8903
223 M3Q 0.8902
224 1LM 0.8901
225 QXW 0.8900
226 5XC 0.8898
227 2HQ 0.8898
228 DIE 0.8898
229 9MG 0.8893
230 0F9 0.8890
231 XEN 0.8890
232 VK3 0.8889
233 O2A 0.8888
234 4YO 0.8887
235 Q77 0.8884
236 GCU 0.8884
237 APZ 0.8884
238 R8V 0.8884
239 OW7 0.8883
240 7FF 0.8883
241 DNC 0.8881
242 64E 0.8881
243 BK9 0.8880
244 AVR 0.8880
245 OVP 0.8878
246 HQJ 0.8876
247 BHA 0.8875
248 06B 0.8874
249 4JQ 0.8874
250 8ZE 0.8873
251 KBG 0.8872
252 KFH 0.8872
253 XQ0 0.8872
254 HHS 0.8872
255 DOB 0.8871
256 0FO 0.8870
257 BNT 0.8870
258 45C 0.8869
259 GM7 0.8868
260 KP6 0.8865
261 PRZ 0.8865
262 54X 0.8863
263 TWO 0.8863
264 CLZ 0.8863
265 Q6T 0.8862
266 XAZ 0.8862
267 SXS 0.8860
268 RD4 0.8860
269 BMA 0.8860
270 329 0.8857
271 AW5 0.8857
272 W81 0.8857
273 J01 0.8856
274 86J 0.8853
275 UQ 0.8852
276 2CQ 0.8851
277 5MK 0.8849
278 AZA 0.8849
279 HMU 0.8849
280 39A 0.8848
281 24W 0.8847
282 9FL 0.8846
283 BPU 0.8845
284 GO1 0.8844
285 TXW 0.8843
286 CTE 0.8843
287 FBG 0.8838
288 7VJ 0.8837
289 X0T 0.8836
290 1P7 0.8836
291 KWQ 0.8835
292 UFO 0.8834
293 BOA 0.8833
294 GO0 0.8832
295 18N 0.8831
296 M1Q 0.8831
297 OW4 0.8828
298 5V7 0.8826
299 JBK 0.8826
300 PE0 0.8826
301 MD6 0.8822
302 JF2 0.8822
303 75K 0.8822
304 H5B 0.8820
305 37T 0.8820
306 MR1 0.8820
307 ORO 0.8819
308 7CT 0.8817
309 4AA 0.8815
310 DX3 0.8814
311 ROI 0.8814
312 B57 0.8814
313 QMS 0.8814
314 G3E 0.8814
315 3GQ 0.8813
316 EY7 0.8812
317 4VS 0.8812
318 5QY 0.8810
319 OXC 0.8810
320 1XM 0.8810
321 54G 0.8810
322 X0W 0.8808
323 J9W 0.8808
324 VOH 0.8808
325 HLD 0.8808
326 KED 0.8808
327 HNQ 0.8807
328 96R 0.8807
329 226 0.8806
330 GIM 0.8806
331 MO8 0.8805
332 SJ5 0.8805
333 680 0.8804
334 9ZE 0.8804
335 3WA 0.8803
336 2SX 0.8802
337 NBV 0.8801
338 582 0.8801
339 150 0.8800
340 E1P 0.8800
341 GCV 0.8799
342 TEP 0.8799
343 42C 0.8798
344 15E 0.8798
345 GJS 0.8796
346 1WG 0.8796
347 5B1 0.8795
348 4B0 0.8794
349 GOE 0.8794
350 HPT 0.8794
351 Q24 0.8792
352 TVP 0.8791
353 QAS 0.8791
354 SX1 0.8790
355 AIN 0.8790
356 JHY 0.8788
357 PDC 0.8787
358 8RK 0.8785
359 JTH 0.8785
360 X09 0.8784
361 9KZ 0.8783
362 948 0.8781
363 FYU 0.8781
364 MVN 0.8780
365 TRP 0.8777
366 EJZ 0.8776
367 DNF 0.8776
368 NDG 0.8776
369 94W 0.8775
370 GDL 0.8775
371 KF5 0.8775
372 5M0 0.8775
373 PFB 0.8775
374 ONR 0.8775
375 6NT 0.8773
376 GTQ 0.8772
377 B0K 0.8772
378 IPB 0.8763
379 3PF 0.8760
380 K17 0.8760
381 PD2 0.8754
382 TTY 0.8754
383 4HC 0.8753
384 SE2 0.8753
385 GOX 0.8752
386 S24 0.8752
387 3DM 0.8752
388 HMH 0.8752
389 V55 0.8752
390 JG8 0.8750
391 M5K 0.8748
392 3MG 0.8748
393 LOG 0.8747
394 VYM 0.8746
395 QSH 0.8745
396 P9T 0.8745
397 VXX 0.8744
398 8WT 0.8743
399 LKA 0.8743
400 A29 0.8743
401 AQO 0.8742
402 61M 0.8742
403 7VS 0.8741
404 MT5 0.8740
405 MEW 0.8740
406 MS0 0.8740
407 HHA 0.8738
408 TH7 0.8738
409 3NT 0.8738
410 DEE 0.8737
411 MAN 0.8737
412 P9P 0.8737
413 F5B 0.8736
414 SR4 0.8735
415 Q71 0.8735
416 8H8 0.8734
417 G5V 0.8734
418 2FQ 0.8733
419 J9T 0.8732
420 AEZ 0.8731
421 O72 0.8730
422 DHY 0.8730
423 2ZQ 0.8730
424 HLZ 0.8727
425 2ZM 0.8726
426 1LQ 0.8726
427 M0W 0.8725
428 D48 0.8723
429 0HO 0.8721
430 AJ2 0.8721
431 SKA 0.8720
432 5RG 0.8720
433 K5W 0.8719
434 DQN 0.8719
435 I2E 0.8719
436 EPR 0.8718
437 PXM 0.8718
438 S0G 0.8717
439 COU 0.8716
440 8Y7 0.8715
441 1SQ 0.8715
442 N1E 0.8715
443 BIO 0.8715
444 DOR 0.8714
445 M5H 0.8714
446 B5D 0.8714
447 9R5 0.8713
448 F4Z 0.8713
449 FDR 0.8712
450 ISE 0.8712
451 MWP 0.8710
452 FIX 0.8708
453 4ME 0.8708
454 B53 0.8708
455 NBG 0.8708
456 3VX 0.8706
457 ABI 0.8706
458 PFL 0.8706
459 QBM 0.8705
460 KLK 0.8704
461 J5I 0.8704
462 3NY 0.8704
463 9FE 0.8702
464 4OG 0.8701
465 HBO 0.8700
466 8W9 0.8699
467 LTN 0.8698
468 790 0.8696
469 D1X 0.8696
470 L46 0.8696
471 68A 0.8696
472 NMJ 0.8694
473 GOG 0.8694
474 0GZ 0.8693
475 D07 0.8692
476 982 0.8691
477 MQG 0.8691
478 HQT 0.8690
479 M1H 0.8688
480 4A5 0.8685
481 HQD 0.8682
482 3BZ 0.8682
483 4YS 0.8682
484 YQA 0.8682
485 ALE 0.8682
486 C8O 0.8681
487 H05 0.8681
488 K82 0.8681
489 0N7 0.8680
490 F05 0.8679
491 SOR 0.8678
492 NGO 0.8676
493 5QX 0.8675
494 LP8 0.8674
495 AMR 0.8673
496 0W1 0.8672
497 6E8 0.8670
498 E3D 0.8670
499 HA5 0.8670
500 67Y 0.8670
501 0TU 0.8669
502 MT8 0.8669
503 0HN 0.8669
504 LTM 0.8668
505 12Q 0.8668
506 ICO 0.8667
507 Z5P 0.8667
508 YKG 0.8667
509 3N4 0.8664
510 L1Q 0.8662
511 3ID 0.8660
512 9KT 0.8660
513 NSP 0.8659
514 86L 0.8658
515 GLT 0.8657
516 KJU 0.8656
517 5NI 0.8655
518 CSN 0.8655
519 JB5 0.8655
520 XQK 0.8654
521 HPA 0.8653
522 9UL 0.8652
523 TTL 0.8651
524 GTV 0.8648
525 RH1 0.8647
526 QX2 0.8647
527 QSB 0.8646
528 FWD 0.8646
529 L7T 0.8646
530 64C 0.8645
531 9EW 0.8644
532 AKH 0.8642
533 6CS 0.8642
534 F12 0.8638
535 HBI 0.8638
536 4NC 0.8637
537 EA1 0.8637
538 0RW 0.8636
539 AJY 0.8634
540 DHB 0.8632
541 HLR 0.8631
542 MHK 0.8630
543 KGK 0.8629
544 SWA 0.8629
545 4Z4 0.8628
546 TT4 0.8627
547 INS 0.8627
548 CPW 0.8625
549 CFI 0.8625
550 PVQ 0.8623
551 OVV 0.8622
552 SVN 0.8622
553 7HP 0.8616
554 DHK 0.8616
555 IHB 0.8616
556 3HB 0.8615
557 BNX 0.8611
558 H4B 0.8611
559 REL 0.8610
560 4TU 0.8609
561 2LP 0.8609
562 PXL 0.8609
563 JB8 0.8609
564 JDN 0.8604
565 Q88 0.8603
566 9F8 0.8601
567 H42 0.8601
568 VNL 0.8598
569 QBK 0.8597
570 QUZ 0.8597
571 IFL 0.8596
572 3RI 0.8596
573 327 0.8596
574 BM3 0.8596
575 7W1 0.8595
576 1AL 0.8595
577 5GU 0.8594
578 7MU 0.8594
579 T6Z 0.8589
580 3QV 0.8588
581 GIV 0.8587
582 SHG 0.8584
583 4RU 0.8584
584 MXX 0.8582
585 9TW 0.8582
586 2D3 0.8581
587 RJY 0.8580
588 IQ5 0.8578
589 L5V 0.8573
590 XXR 0.8573
591 2HO 0.8573
592 CN0 0.8572
593 R9Y 0.8572
594 8XQ 0.8568
595 7ME 0.8568
596 GLA 0.8567
597 TGX 0.8567
598 INO 0.8566
599 XAN 0.8564
600 UEG 0.8564
601 XXP 0.8562
602 GDE 0.8561
603 091 0.8560
604 KYA 0.8559
605 3C1 0.8556
606 QWW 0.8552
607 DA4 0.8550
608 2H5 0.8550
609 B41 0.8550
610 DEW 0.8549
611 3C2 0.8548
612 ADE 0.8546
613 OUB 0.8546
614 GUN 0.8542
615 YO5 0.8539
616 PVK 0.8538
617 NTM 0.8523
618 149 0.8516
619 9DG 0.8513
620 K32 0.8511
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5DHU; Ligand: 5A8; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5dhu.bio1) has 55 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5DHU; Ligand: 5A8; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5dhu.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5DHU; Ligand: 5A8; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5dhu.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5DHU; Ligand: 5A8; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5dhu.bio1) has 55 residues
No: Leader PDB Ligand Sequence Similarity
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