Receptor
PDB id Resolution Class Description Source Keywords
1S5Z 2 Å EC: 2.7.4.6 NDP KINASE IN COMPLEX WITH ADENOSINE PHOSPHONOACETIC ACID DICTYOSTELIUM DISCOIDEUM TRANSFERASE
Ref.: ADENOSINE PHOSPHONOACETIC ACID IS SLOWLY METABOLIZED BY NDP KINASE. MED.CHEM. V. 1 529 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PO4 C:1161;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
SON A:1160;
Valid;
none;
submit data
389.258 C12 H16 N5 O8 P c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1F3F 1.85 Å EC: 2.7.4.6 STRUCTURE OF THE H122G NUCLEOSIDE DIPHOSPHATE KINASE / D4T- TRIPHOSPHATE.MG COMPLEX DICTYOSTELIUM DISCOIDEUM NUCLEOSIDE DIPHOSPHATE KINASE ANTI-HIV NUCLEOSIDE ANALOGUEPHOSPHORYLATION CH...O BOND TRANSFERASE
Ref.: STRUCTURAL BASIS FOR ACTIVATION OF ALPHA-BORANOPHOS NUCLEOTIDE ANALOGUES TARGETING DRUG-RESISTANT REVER TRANSCRIPTASE. EMBO J. V. 19 3520 2000
Members (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 1F6T - TBD C10 H19 B N2 O10 P2 [BH3-][P@@....
2 1NDP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 3FKB - TNM C9 H15 N5 O7 P2 C[C@H](Cn1....
4 1KDN - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
5 1LWX - AZD C10 H15 N5 O10 P2 CC1=CN(C(=....
6 1NDC - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
7 2BEF - BEF ADP n/a n/a
8 1F3F Kd = 21.3 uM D4T C10 H15 N2 O13 P3 CC1=CN(C(=....
9 4CP5 Kd = 452 uM EOI C9 H16 N5 O9 P3 S C[C@H](Cn1....
10 1B4S - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
11 1S5Z - SON C12 H16 N5 O8 P c1nc(c2c(n....
12 1MN7 - ABT C10 H17 B N5 O12 P3 B=P(O)(OC[....
70% Homology Family (31)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1F6T - TBD C10 H19 B N2 O10 P2 [BH3-][P@@....
2 1NDP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 3FKB - TNM C9 H15 N5 O7 P2 C[C@H](Cn1....
4 1KDN - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
5 1LWX - AZD C10 H15 N5 O10 P2 CC1=CN(C(=....
6 1NDC - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
7 2BEF - BEF ADP n/a n/a
8 1F3F Kd = 21.3 uM D4T C10 H15 N2 O13 P3 CC1=CN(C(=....
9 4CP5 Kd = 452 uM EOI C9 H16 N5 O9 P3 S C[C@H](Cn1....
10 1B4S - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
11 1S5Z - SON C12 H16 N5 O8 P c1nc(c2c(n....
12 1MN7 - ABT C10 H17 B N5 O12 P3 B=P(O)(OC[....
13 3NGU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
14 1WKL - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
15 1ZS6 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
16 6XPV - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
17 6XPW - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
18 6XPU - IDP C10 H14 N4 O11 P2 c1nc2c(n1[....
19 6XPT - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
20 6XP7 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
21 6XPS - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
22 4UOG - YYY C9 H15 N3 O10 P2 C1[C@@H]([....
23 4UOH - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
24 1BE4 - PCG C10 H12 N5 O7 P c1nc2c(n1[....
25 3BBB - DG C10 H14 N5 O7 P c1nc2c(n1[....
26 1NUE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
27 1BHN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
28 2HVD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
29 1UCN Kd = 6 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
30 3BBF - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
31 2HVE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (57)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1F6T - TBD C10 H19 B N2 O10 P2 [BH3-][P@@....
2 1NDP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 3FKB - TNM C9 H15 N5 O7 P2 C[C@H](Cn1....
4 1KDN - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
5 1LWX - AZD C10 H15 N5 O10 P2 CC1=CN(C(=....
6 1NDC - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
7 2BEF - BEF ADP n/a n/a
8 1F3F Kd = 21.3 uM D4T C10 H15 N2 O13 P3 CC1=CN(C(=....
9 4CP5 Kd = 452 uM EOI C9 H16 N5 O9 P3 S C[C@H](Cn1....
10 1B4S - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
11 1S5Z - SON C12 H16 N5 O8 P c1nc(c2c(n....
12 1MN7 - ABT C10 H17 B N5 O12 P3 B=P(O)(OC[....
13 3EVO - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
14 3ELH - DUD C9 H14 N2 O11 P2 C1[C@@H]([....
15 3GP9 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
16 3EJM - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
17 3FBB - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
18 3EMT - DGI C10 H15 N5 O10 P2 c1nc2c(n1[....
19 3FCV - DUD C9 H14 N2 O11 P2 C1[C@@H]([....
20 3EIC - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
21 3EVM - YYY C9 H15 N3 O10 P2 C1[C@@H]([....
22 3B6B - DGI C10 H15 N5 O10 P2 c1nc2c(n1[....
23 3FCW - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
24 2B8Q - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
25 3DKD - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
26 3DDI - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
27 3FBE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
28 3ETM - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
29 3GPA - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
30 3ENA - DGI C10 H15 N5 O10 P2 c1nc2c(n1[....
31 3EM1 - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
32 3EE3 - CDP MG n/a n/a
33 3NGU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
34 3Q86 - GTP MG n/a n/a
35 3Q8U - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
36 3Q8V - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
37 1WKL - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
38 1ZS6 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
39 6XPV - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
40 6XPW - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
41 6XPU - IDP C10 H14 N4 O11 P2 c1nc2c(n1[....
42 6XPT - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
43 6XP7 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
44 6XPS - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
45 4UOG - YYY C9 H15 N3 O10 P2 C1[C@@H]([....
46 4UOH - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
47 2AZ3 - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
48 1NHK - CMP C10 H12 N5 O6 P c1nc(c2c(n....
49 1NLK - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50 1BE4 - PCG C10 H12 N5 O7 P c1nc2c(n1[....
51 3BBB - DG C10 H14 N5 O7 P c1nc2c(n1[....
52 1NUE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
53 1BHN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
54 2HVD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
55 1UCN Kd = 6 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
56 3BBF - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
57 2HVE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SON; Similar ligands found: 373
No: Ligand ECFP6 Tc MDL keys Tc
1 SON 1 1
2 AMP 0.712329 0.931507
3 A 0.712329 0.931507
4 AP2 0.688312 0.946667
5 A12 0.688312 0.946667
6 ABM 0.684211 0.881579
7 45A 0.684211 0.881579
8 A2D 0.684211 0.906667
9 CA0 0.683544 0.933333
10 AMP MG 0.68 0.891892
11 KG4 0.675 0.933333
12 5AL 0.674699 0.945946
13 BA3 0.666667 0.906667
14 B4P 0.658228 0.906667
15 AP5 0.658228 0.906667
16 ADP 0.658228 0.932432
17 SRA 0.657895 0.883117
18 ACP 0.654321 0.933333
19 AT4 0.65 0.896104
20 AN2 0.65 0.92
21 AOC 0.649351 0.789474
22 LMS 0.644737 0.797619
23 GAP 0.642857 0.907895
24 AU1 0.641975 0.907895
25 M33 0.641975 0.894737
26 ADX 0.641975 0.819277
27 8LE 0.635294 0.909091
28 V2G 0.635294 0.935065
29 50T 0.634146 0.894737
30 HEJ 0.634146 0.932432
31 ATP 0.634146 0.932432
32 ADP MG 0.62963 0.905405
33 ADP BEF 0.62963 0.905405
34 APC 0.626506 0.946667
35 PRX 0.626506 0.858974
36 AQP 0.626506 0.932432
37 APR 0.626506 0.932432
38 5FA 0.626506 0.932432
39 AR6 0.626506 0.932432
40 8LQ 0.625 0.946667
41 8LH 0.62069 0.921053
42 SRP 0.62069 0.946667
43 AGS 0.619048 0.884615
44 AD9 0.619048 0.907895
45 ADV 0.619048 0.946667
46 RBY 0.619048 0.946667
47 RAB 0.614286 0.786667
48 XYA 0.614286 0.786667
49 ADN 0.614286 0.786667
50 5CD 0.611111 0.773333
51 AMO 0.611111 0.946667
52 WAQ 0.608696 0.947368
53 QA7 0.606742 0.909091
54 DAL AMP 0.606742 0.92
55 TAT 0.604651 0.896104
56 ACQ 0.604651 0.933333
57 ANP 0.604651 0.907895
58 T99 0.604651 0.896104
59 DLL 0.604396 0.945946
60 1ZZ 0.602151 0.876543
61 ADP PO3 0.6 0.905405
62 OOB 0.6 0.945946
63 8QN 0.6 0.945946
64 APC MG 0.6 0.906667
65 9ZD 0.6 0.922078
66 ATP MG 0.6 0.905405
67 9ZA 0.6 0.922078
68 OAD 0.597826 0.933333
69 5AS 0.597561 0.752809
70 5N5 0.597222 0.763158
71 4AD 0.593407 0.934211
72 PAJ 0.593407 0.875
73 G5A 0.593023 0.793103
74 BEF ADP 0.593023 0.881579
75 PR8 0.591398 0.911392
76 A5A 0.590909 0.8
77 ATF 0.590909 0.896104
78 A4D 0.589041 0.763158
79 TSB 0.588889 0.790698
80 8X1 0.588889 0.766667
81 00A 0.586957 0.897436
82 AHX 0.586957 0.886076
83 NB8 0.585106 0.910256
84 9K8 0.585106 0.728261
85 6YZ 0.58427 0.933333
86 SSA 0.58427 0.793103
87 OZV 0.582418 0.906667
88 3UK 0.580645 0.933333
89 DTA 0.578947 0.779221
90 MYR AMP 0.578947 0.853659
91 52H 0.577778 0.772727
92 HQG 0.577778 0.945946
93 VMS 0.577778 0.781609
94 54H 0.577778 0.781609
95 H1Q 0.576471 0.868421
96 P5A 0.574468 0.777778
97 LAD 0.574468 0.923077
98 B5V 0.574468 0.921053
99 ANP MG 0.573034 0.894737
100 VO4 ADP 0.573034 0.907895
101 ALF ADP 0.573034 0.8375
102 5CA 0.571429 0.793103
103 A22 0.571429 0.92
104 53H 0.571429 0.772727
105 MAP 0.571429 0.884615
106 TXA 0.568421 0.921053
107 3OD 0.568421 0.933333
108 ME8 0.568421 0.876543
109 PTJ 0.568421 0.910256
110 EP4 0.565789 0.725
111 5SV 0.565217 0.839506
112 25A 0.565217 0.932432
113 9X8 0.56383 0.884615
114 A1R 0.55914 0.897436
115 DSZ 0.55914 0.813953
116 NSS 0.55914 0.793103
117 A3R 0.55914 0.897436
118 ADQ 0.55914 0.907895
119 LSS 0.55914 0.775281
120 M2T 0.558442 0.707317
121 GSU 0.557895 0.813953
122 3DH 0.556962 0.74359
123 9SN 0.556701 0.886076
124 4UV 0.555556 0.909091
125 JNT 0.553191 0.907895
126 NVA LMS 0.553191 0.766667
127 MTA 0.551282 0.74359
128 B5M 0.55102 0.909091
129 FA5 0.55102 0.946667
130 B5Y 0.55102 0.909091
131 3AM 0.55 0.891892
132 7C5 0.55 0.833333
133 LAQ 0.54902 0.876543
134 NWW 0.546667 0.72973
135 XAH 0.545455 0.876543
136 4UU 0.544554 0.909091
137 KAA 0.541667 0.786517
138 5X8 0.54023 0.802632
139 DND 0.538462 0.921053
140 4UW 0.538462 0.875
141 6RE 0.536585 0.753086
142 BIS 0.536082 0.873418
143 FYA 0.536082 0.894737
144 KMQ 0.535354 0.896104
145 OMR 0.533333 0.865854
146 ADP BMA 0.53125 0.883117
147 LEU LMS 0.53125 0.764045
148 25L 0.530612 0.92
149 YSA 0.53 0.793103
150 7MD 0.529412 0.876543
151 A3P 0.529412 0.931507
152 LPA AMP 0.528846 0.853659
153 KOY 0.528846 0.818182
154 48N 0.528846 0.910256
155 7D5 0.525 0.868421
156 ZAS 0.52439 0.7375
157 TAD 0.524272 0.898734
158 DQV 0.524272 0.92
159 A3N 0.52381 0.734177
160 J7C 0.52381 0.7625
161 NAI 0.52381 0.873418
162 SFG 0.522727 0.813333
163 5AD 0.520548 0.716216
164 JB6 0.520408 0.873418
165 IOT 0.518519 0.890244
166 2AM 0.518519 0.88
167 S4M 0.517647 0.681818
168 GJV 0.517647 0.743902
169 ARG AMP 0.514563 0.865854
170 GA7 0.514563 0.871795
171 YLP 0.514286 0.878049
172 YLC 0.514019 0.9
173 L3W 0.514019 0.896104
174 YLB 0.514019 0.878049
175 NAD IBO 0.514019 0.906667
176 NAD TDB 0.514019 0.906667
177 NAD 0.513514 0.92
178 DSH 0.511905 0.740741
179 A2P 0.511628 0.917808
180 MAO 0.511628 0.77381
181 SA8 0.511111 0.765432
182 AMP DBH 0.509804 0.858974
183 NAX 0.509434 0.864198
184 TXD 0.509434 0.873418
185 6V0 0.509434 0.8625
186 CNA 0.509091 0.896104
187 BT5 0.508929 0.890244
188 SAH 0.505495 0.805195
189 SAI 0.505495 0.794872
190 ATP A A A 0.504951 0.893333
191 8PZ 0.504951 0.793103
192 ATP A 0.504951 0.893333
193 G3A 0.504854 0.886076
194 AHZ 0.504762 0.831325
195 TYM 0.504673 0.946667
196 TXE 0.504673 0.873418
197 A3D 0.504425 0.907895
198 V47 0.5 0.8
199 OVE 0.5 0.846154
200 SMM 0.5 0.741176
201 G5P 0.5 0.886076
202 SAM 0.5 0.746988
203 AFH 0.5 0.875
204 YLA 0.5 0.878049
205 7MC 0.5 0.855422
206 B1U 0.5 0.731183
207 AYB 0.495495 0.86747
208 A4P 0.495413 0.813953
209 UP5 0.495327 0.884615
210 GTA 0.495238 0.853659
211 4YB 0.495238 0.795455
212 EEM 0.494624 0.746988
213 AAT 0.494624 0.722892
214 A5D 0.494505 0.779221
215 PAP 0.494505 0.918919
216 A3G 0.494118 0.792208
217 NEC 0.494118 0.717949
218 F2R 0.491071 0.878049
219 649 0.490741 0.777778
220 AF3 ADP 3PG 0.490741 0.875
221 ALF ADP 3PG 0.490741 0.875
222 K3K 0.490196 0.75
223 COD 0.486726 0.825581
224 AMP NAD 0.486726 0.92
225 4TC 0.486239 0.886076
226 AR6 AR6 0.485714 0.906667
227 QXP 0.484536 0.758621
228 S7M 0.484211 0.746988
229 V3L 0.483871 0.958904
230 2A5 0.483516 0.883117
231 A7D 0.483146 0.792208
232 7D3 0.482759 0.87013
233 N5A 0.482759 0.730769
234 NWQ 0.481928 0.710526
235 K3E 0.480769 0.740741
236 J4G 0.48 0.96
237 ZID 0.478992 0.907895
238 PPS 0.478723 0.819277
239 ATR 0.478261 0.905405
240 MHZ 0.477778 0.712644
241 7D4 0.477778 0.87013
242 WSA 0.477064 0.802326
243 N5O 0.476744 0.75641
244 NAE 0.474576 0.884615
245 Y3J 0.474359 0.697368
246 7D7 0.473684 0.736842
247 T5A 0.473214 0.855422
248 139 0.473214 0.864198
249 O02 0.473118 0.910256
250 UPA 0.472727 0.873418
251 AP0 0.472727 0.839506
252 IMO 0.471264 0.891892
253 NAQ 0.470588 0.8625
254 QXG 0.47 0.75
255 DZD 0.469565 0.898734
256 GEK 0.469388 0.797468
257 A3S 0.466667 0.802632
258 YLY 0.466102 0.86747
259 6MZ 0.465909 0.893333
260 80F 0.465517 0.855422
261 R2V 0.465347 0.758621
262 0UM 0.464646 0.756098
263 A2R 0.463918 0.945946
264 BTX 0.46087 0.878049
265 ADJ 0.460177 0.843373
266 62X 0.46 0.72093
267 8Q2 0.459459 0.766667
268 KY2 0.459184 0.746988
269 A3T 0.456522 0.789474
270 KB1 0.456311 0.756098
271 A6D 0.455446 0.717647
272 K15 0.455446 0.738095
273 N0B 0.454545 0.878049
274 M24 0.453782 0.864198
275 D4F 0.45 0.853659
276 NAJ PZO 0.449153 0.839506
277 4TA 0.448276 0.843373
278 101 0.448276 0.868421
279 SXZ 0.446602 0.768293
280 NAJ PYZ 0.446281 0.8
281 ITT 0.445652 0.88
282 NDE 0.444444 0.921053
283 2SA 0.443299 0.946667
284 CUU 0.44086 0.932432
285 KXW 0.440367 0.765432
286 NJP 0.439655 0.909091
287 NX8 0.4375 0.731707
288 NDC 0.4375 0.886076
289 3AT 0.4375 0.932432
290 KYB 0.435644 0.746988
291 EAD 0.435484 0.841463
292 AMZ 0.435294 0.88
293 C2R 0.435294 0.893333
294 HYC 0.435115 0.761905
295 6AD 0.43299 0.851852
296 3AD 0.432099 0.797297
297 K2H 0.431373 0.707317
298 D3Y 0.43 0.782051
299 KYE 0.429907 0.771084
300 AV2 0.428571 0.857143
301 71V 0.428571 0.85
302 EU9 0.428571 0.738636
303 KY5 0.428571 0.740741
304 NA7 0.427184 0.946667
305 PO4 PO4 A A A A PO4 0.427184 0.866667
306 HFD 0.427083 0.884615
307 6C6 0.427083 0.896104
308 JSQ 0.427083 0.884615
309 DA 0.426966 0.893333
310 D5M 0.426966 0.893333
311 S8M 0.425743 0.775
312 2VA 0.425532 0.769231
313 SLU 0.425 0.764045
314 0WD 0.423729 0.886076
315 KL2 0.423529 0.805195
316 K2K 0.423077 0.731707
317 3NZ 0.423077 0.775
318 6IA 0.42268 0.829268
319 P1H 0.421875 0.821429
320 Q34 0.421053 0.729412
321 NWZ 0.421053 0.719512
322 QQY 0.420455 0.78481
323 ACK 0.420455 0.826667
324 NO7 0.42 0.871795
325 U4Y 0.419643 0.797468
326 OZP 0.419643 0.7875
327 K2R 0.419048 0.92
328 BS5 0.418803 0.731183
329 CC5 0.417722 0.808219
330 EO7 0.417582 0.761364
331 ARU 0.417476 0.807229
332 LQJ 0.416667 0.881579
333 NVA 2AD 0.416667 0.753086
334 K2W 0.416667 0.73494
335 GGZ 0.415842 0.77381
336 FB0 0.415385 0.818182
337 ODP 0.415254 0.875
338 PGS 0.414894 0.82716
339 KH3 0.414414 0.729412
340 N01 0.413223 0.894737
341 CMP 0.413043 0.864865
342 2BA 0.413043 0.878378
343 V1N 0.412844 0.906667
344 SO8 0.412371 0.759494
345 VRT 0.412371 0.7625
346 K38 0.411215 0.728395
347 HZ2 0.410714 0.768293
348 DAT 0.410526 0.894737
349 NDP 0.410256 0.886076
350 KY8 0.409524 0.743902
351 NIA 0.409091 0.792683
352 QQX 0.409091 0.775
353 F0P 0.408696 0.7875
354 Q2M 0.408696 0.746988
355 DTP 0.408163 0.894737
356 38V 0.408 0.9
357 NAP 0.408 0.933333
358 AAM 0.406593 0.931507
359 O05 0.40566 0.835294
360 ANZ 0.405405 0.771084
361 Z5A 0.404762 0.793103
362 SP1 0.404494 0.810127
363 RP1 0.404494 0.810127
364 103 0.404494 0.805195
365 NAD BBN 0.404412 0.811765
366 K3H 0.40367 0.702381
367 HY8 0.403509 0.768293
368 PLP AAD 0.401639 0.728261
369 NA0 0.401575 0.921053
370 N37 0.4 0.794872
371 SFD 0.4 0.729167
372 NMN AMP PO4 0.4 0.860759
373 Q2P 0.4 0.729412
Similar Ligands (3D)
Ligand no: 1; Ligand: SON; Similar ligands found: 9
No: Ligand Similarity coefficient
1 GDP 0.9417
2 IDP 0.9392
3 UDP 0.9211
4 DGI 0.8910
5 IMP 0.8824
6 IRP 0.8762
7 5GP 0.8729
8 CDP 0.8726
9 YYY 0.8695
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1F3F; Ligand: D4T; 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: 1f3f.bio1) has 50 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1F3F; Ligand: D4T; 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: 1f3f.bio1) has 50 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1F3F; Ligand: D4T; 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: 1f3f.bio1) has 56 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1F3F; Ligand: D4T; 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: 1f3f.bio1) has 56 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1F3F; Ligand: D4T; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1f3f.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1F3F; Ligand: D4T; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1f3f.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1F3F; Ligand: D4D; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1f3f.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1F3F; Ligand: D4D; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1f3f.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
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