Receptor
PDB id Resolution Class Description Source Keywords
1kf0 2.5 Å EC: 2.7.2.3 CRYSTAL STRUCTURE OF PIG MUSCLE PHOSPHOGLYCERATE KINASE TERNARY COMPLEX WITH AMP-PCP AND 3PG SUS SCROFA ATP ANALOGUE TRANSFERASE
Ref.: CRYSTALLOGRAPHIC AND THIOL-REACTIVITY STUDIES ON THE COMPLEX OF PIG MUSCLE PHOSPHOGLYCERATE KINASE WITH ATP ANALOGUES: CORRELATION BETWEEN NUCLEOTIDE BINDING MODE AND HELIX FLEXIBILITY. BIOCHEMISTRY V. 41 8796 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3PG A:417;
Valid;
none;
submit data
186.057 C3 H7 O7 P C([C@...
ACP A:418;
Valid;
none;
Kd = 2.8 mM
505.208 C11 H18 N5 O12 P3 c1nc(...
MG A:518;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4O33 2.1 Å EC: 2.7.2.3 CRYSTAL STRUCTURE OF HUMAN PGK1 3PG AND TERAZOSIN(TZN) TERNA HOMO SAPIENS ENZYME-DRUG COMPLEX TRANSFERASE-TRANSFERASE ACTIVITOR COMPLTRANSFERASE-TRANSFERASE ACTIVATOR COMPLEX
Ref.: TERAZOSIN ACTIVATES PGK1 AND HSP90 TO PROMOTE STRES RESISTANCE. NAT.CHEM.BIOL. V. 11 19 2015
Members (23)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 5O7D - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 2WZC - ALF ADP 3PG n/a n/a
3 5M3U - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 1HDI - AMP C10 H14 N5 O7 P c1nc(c2c(n....
5 2XE7 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
6 3C3B - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
7 4O3F Kd = 2.78 uM TZN C19 H25 N5 O4 COc1cc2c(c....
8 3C3A - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 1KF0 Kd = 2.8 mM ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
10 5M1R - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
11 2ZGV - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
12 2WZB - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
13 1VJD Kd = 0.286 mM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
14 3C3C - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
15 5MXM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
16 1VJC Kd = 0.263 mM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
17 2WZD - AF3 ADP 3PG n/a n/a
18 3C39 - 3PG C3 H7 O7 P C([C@H](C(....
19 2XE8 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
20 2YBE - LA8 ALF 3PG n/a n/a
21 2XE6 - 3PG C3 H7 O7 P C([C@H](C(....
22 4O33 Kd = 2.78 uM TZN C19 H25 N5 O4 COc1cc2c(c....
23 5M6Z - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
70% Homology Family (26)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1QPG - MAP C10 H16 Mg N6 O12 P3 c1nc(c2c(n....
2 3PGK - 3PG C3 H7 O7 P C([C@H](C(....
3 5O7D - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 2WZC - ALF ADP 3PG n/a n/a
5 5M3U - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
6 1HDI - AMP C10 H14 N5 O7 P c1nc(c2c(n....
7 2XE7 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
8 3C3B - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
9 4O3F Kd = 2.78 uM TZN C19 H25 N5 O4 COc1cc2c(c....
10 3C3A - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
11 1KF0 Kd = 2.8 mM ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
12 5M1R - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
13 2ZGV - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
14 2WZB - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
15 1VJD Kd = 0.286 mM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
16 3C3C - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
17 5MXM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
18 1VJC Kd = 0.263 mM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
19 2WZD - AF3 ADP 3PG n/a n/a
20 3C39 - 3PG C3 H7 O7 P C([C@H](C(....
21 2XE8 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
22 2YBE - LA8 ALF 3PG n/a n/a
23 2XE6 - 3PG C3 H7 O7 P C([C@H](C(....
24 4O33 Kd = 2.78 uM TZN C19 H25 N5 O4 COc1cc2c(c....
25 5M6Z - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
26 2P9T - 3PG C3 H7 O7 P C([C@H](C(....
50% Homology Family (33)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 13PK - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 16PK - BIS C15 H22 F4 N5 O12 P3 c1nc(c2c(n....
3 1QPG - MAP C10 H16 Mg N6 O12 P3 c1nc(c2c(n....
4 3PGK - 3PG C3 H7 O7 P C([C@H](C(....
5 2CUN - 3PG C3 H7 O7 P C([C@H](C(....
6 5O7D - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
7 2WZC - ALF ADP 3PG n/a n/a
8 5M3U - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 1HDI - AMP C10 H14 N5 O7 P c1nc(c2c(n....
10 2XE7 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
11 3C3B - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
12 4O3F Kd = 2.78 uM TZN C19 H25 N5 O4 COc1cc2c(c....
13 3C3A - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
14 1KF0 Kd = 2.8 mM ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
15 5M1R - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
16 2ZGV - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
17 2WZB - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
18 1VJD Kd = 0.286 mM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
19 3C3C - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
20 5MXM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
21 1VJC Kd = 0.263 mM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
22 2WZD - AF3 ADP 3PG n/a n/a
23 3C39 - 3PG C3 H7 O7 P C([C@H](C(....
24 2XE8 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
25 2YBE - LA8 ALF 3PG n/a n/a
26 2XE6 - 3PG C3 H7 O7 P C([C@H](C(....
27 4O33 Kd = 2.78 uM TZN C19 H25 N5 O4 COc1cc2c(c....
28 5M6Z - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
29 2P9T - 3PG C3 H7 O7 P C([C@H](C(....
30 6HXE - 3PG C3 H7 O7 P C([C@H](C(....
31 1VPE - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
32 1PHP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
33 3ZLB - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 3PG; Similar ligands found: 27
No: Ligand ECFP6 Tc MDL keys Tc
1 3PG 1 1
2 DEZ 0.575758 0.941176
3 DER 0.575758 0.941176
4 SEP 0.515152 0.74359
5 4TP 0.5 0.780488
6 PA5 0.486486 0.941176
7 R10 0.486486 0.941176
8 DG2 0.485714 0.909091
9 LG6 0.461538 0.941176
10 6PG 0.461538 0.941176
11 HG3 0.451613 0.9375
12 1GP 0.4375 0.852941
13 G3P 0.4375 0.852941
14 PGA 0.433333 0.90625
15 DXP 0.432432 0.911765
16 GOS 0.424242 0.857143
17 M2P 0.424242 0.857143
18 G3H 0.411765 0.9375
19 5RP 0.410256 0.837838
20 D5X 0.410256 0.941176
21 HMS 0.410256 0.837838
22 5SP 0.410256 0.837838
23 PEQ 0.40625 0.727273
24 0V5 0.40625 0.727273
25 RUB 0.4 0.885714
26 XBP 0.4 0.885714
27 RES 0.4 0.659574
Ligand no: 2; Ligand: ACP; Similar ligands found: 424
No: Ligand ECFP6 Tc MDL keys Tc
1 ACP 1 1
2 ACQ 0.866667 1
3 A2D 0.857143 0.945205
4 6YZ 0.833333 1
5 BA3 0.833333 0.945205
6 B4P 0.821918 0.945205
7 AP5 0.821918 0.945205
8 ADP 0.821918 0.972222
9 AT4 0.810811 0.933333
10 AN2 0.810811 0.958904
11 A12 0.808219 0.986301
12 AP2 0.808219 0.986301
13 M33 0.8 0.932432
14 HEJ 0.789474 0.972222
15 ATP 0.789474 0.972222
16 AR6 0.779221 0.945205
17 5FA 0.779221 0.972222
18 APR 0.779221 0.945205
19 AQP 0.779221 0.972222
20 AGS 0.769231 0.921053
21 AD9 0.769231 0.945946
22 AMP 0.763889 0.944444
23 A 0.763889 0.944444
24 APC 0.75641 0.986301
25 ADX 0.753247 0.851852
26 CA0 0.753247 0.92
27 ANP 0.75 0.945946
28 KG4 0.74359 0.92
29 50T 0.74359 0.932432
30 PRX 0.734177 0.87013
31 ABM 0.733333 0.893333
32 45A 0.733333 0.893333
33 ATF 0.731707 0.933333
34 AMP MG 0.72973 0.90411
35 HQG 0.714286 0.958904
36 SRA 0.706667 0.894737
37 A22 0.705882 0.958904
38 RBY 0.703704 0.959459
39 ADV 0.703704 0.959459
40 5AL 0.698795 0.906667
41 8LE 0.698795 0.871795
42 ADP BEF 0.696203 0.917808
43 ADP MG 0.696203 0.917808
44 A3R 0.689655 0.909091
45 ADQ 0.689655 0.92
46 A1R 0.689655 0.909091
47 AU1 0.6875 0.945946
48 T99 0.686747 0.933333
49 TAT 0.686747 0.933333
50 APC MG 0.682927 0.918919
51 SRP 0.682353 0.907895
52 8LH 0.682353 0.883117
53 JNT 0.681818 0.945946
54 OAD 0.674157 0.92
55 9X8 0.674157 0.896104
56 4TC 0.673469 0.922078
57 4AD 0.670455 0.921053
58 AMO 0.670455 0.933333
59 8LQ 0.666667 0.907895
60 QA7 0.666667 0.871795
61 00A 0.662921 0.860759
62 ADP PO3 0.662651 0.917808
63 ATP MG 0.662651 0.917808
64 3OD 0.659341 0.92
65 BIS 0.659341 0.909091
66 OOB 0.659091 0.906667
67 5SV 0.659091 0.82716
68 25A 0.659091 0.945205
69 8QN 0.659091 0.906667
70 OZV 0.659091 0.945205
71 BEF ADP 0.654762 0.893333
72 SON 0.654321 0.933333
73 25L 0.652174 0.958904
74 PAJ 0.651685 0.8625
75 AHX 0.644444 0.897436
76 DLL 0.644444 0.906667
77 TXA 0.641304 0.907895
78 V2G 0.639535 0.897436
79 KMQ 0.638298 0.907895
80 3UK 0.637363 0.894737
81 VO4 ADP 0.632184 0.92
82 ANP MG 0.632184 0.906667
83 ALF ADP 0.632184 0.848101
84 B5V 0.630435 0.883117
85 PR8 0.630435 0.851852
86 LAD 0.630435 0.8625
87 WAQ 0.630435 0.884615
88 MAP 0.629214 0.921053
89 LMS 0.628205 0.807229
90 GAP 0.627907 0.87013
91 ME8 0.623656 0.841463
92 1ZZ 0.623656 0.819277
93 PTJ 0.623656 0.873418
94 NB8 0.623656 0.897436
95 FYA 0.623656 0.906667
96 UP5 0.62 0.896104
97 G3A 0.618557 0.897436
98 AFH 0.612245 0.886076
99 G5P 0.612245 0.897436
100 9SN 0.610526 0.85
101 DQV 0.606061 0.932432
102 GTA 0.606061 0.864198
103 9ZA 0.604396 0.884615
104 9ZD 0.604396 0.884615
105 B5M 0.604167 0.871795
106 FA5 0.604167 0.907895
107 B5Y 0.604167 0.871795
108 TXD 0.60396 0.884615
109 XAH 0.597938 0.841463
110 RAB 0.597222 0.821918
111 ADN 0.597222 0.821918
112 XYA 0.597222 0.821918
113 GA7 0.59596 0.907895
114 48N 0.594059 0.897436
115 DAL AMP 0.593407 0.881579
116 2A5 0.593023 0.92
117 AOC 0.592593 0.8
118 4UV 0.591837 0.871795
119 DND 0.588235 0.907895
120 NAI 0.588235 0.884615
121 6V0 0.588235 0.873418
122 NAX 0.588235 0.875
123 PAP 0.586207 0.958333
124 ATR 0.586207 0.944444
125 ADP BMA 0.585106 0.894737
126 LAQ 0.584158 0.819277
127 5AS 0.583333 0.761364
128 TXE 0.582524 0.884615
129 OMR 0.582524 0.831325
130 5N5 0.581081 0.797297
131 4UU 0.58 0.871795
132 7D3 0.578313 0.881579
133 AP0 0.576923 0.873418
134 L3W 0.576923 0.907895
135 A4D 0.573333 0.797297
136 5CD 0.573333 0.783784
137 JB6 0.572917 0.884615
138 4UW 0.572816 0.839506
139 A4P 0.571429 0.823529
140 CNA 0.570093 0.907895
141 ITT 0.569767 0.917808
142 7D4 0.569767 0.881579
143 A2R 0.565217 0.958904
144 M2T 0.564103 0.716049
145 YLP 0.563107 0.821429
146 O02 0.561798 0.947368
147 T5A 0.560748 0.843373
148 ADJ 0.560748 0.831325
149 139 0.560748 0.851852
150 TAD 0.558824 0.910256
151 ATP A A A 0.555556 0.905405
152 ATP A 0.555556 0.905405
153 A3P 0.552941 0.944444
154 TYM 0.552381 0.907895
155 IOT 0.551402 0.833333
156 EP4 0.551282 0.734177
157 MYR AMP 0.55102 0.797619
158 F2R 0.550459 0.865854
159 7D5 0.55 0.855263
160 80F 0.54955 0.843373
161 A3D 0.54955 0.894737
162 GCP 0.548387 0.922078
163 YLC 0.54717 0.841463
164 YLB 0.54717 0.821429
165 UPA 0.54717 0.884615
166 COD 0.545455 0.813953
167 H1Q 0.545455 0.88
168 NAD 0.545455 0.906667
169 JSQ 0.544444 0.921053
170 G5A 0.544444 0.781609
171 HFD 0.544444 0.921053
172 DTA 0.544304 0.766234
173 3DH 0.54321 0.753247
174 DZD 0.540541 0.910256
175 AHZ 0.538462 0.797619
176 MTA 0.5375 0.753247
177 3AM 0.536585 0.90411
178 A2P 0.534884 0.930556
179 AR6 AR6 0.533981 0.893333
180 PPS 0.532609 0.851852
181 6AD 0.532609 0.886076
182 YLA 0.53211 0.821429
183 AMP DBH 0.529412 0.87013
184 AYB 0.527273 0.811765
185 A5A 0.526882 0.788235
186 TSB 0.526316 0.8
187 6RE 0.52381 0.7625
188 S4M 0.523256 0.670455
189 38V 0.521368 0.911392
190 SSA 0.521277 0.802326
191 NA7 0.520408 0.959459
192 7MD 0.519231 0.864198
193 ARG AMP 0.519231 0.831325
194 LPA AMP 0.518868 0.797619
195 BTX 0.517857 0.843373
196 NAE 0.517241 0.871795
197 52H 0.515789 0.761364
198 VMS 0.515789 0.770115
199 NO7 0.515789 0.907895
200 54H 0.515789 0.770115
201 BT5 0.513274 0.833333
202 NAQ 0.512821 0.85
203 ZAS 0.511905 0.746835
204 A3N 0.511628 0.766234
205 IMO 0.511628 0.90411
206 J7C 0.511628 0.772152
207 CUU 0.511111 0.972222
208 AV2 0.510638 0.893333
209 53H 0.510417 0.761364
210 5CA 0.510417 0.802326
211 8X1 0.510417 0.755556
212 ARU 0.510204 0.839506
213 AF3 ADP 3PG 0.509259 0.839506
214 ALF ADP 3PG 0.509259 0.839506
215 M24 0.508621 0.829268
216 ZID 0.508475 0.894737
217 2AM 0.506024 0.917808
218 6MZ 0.505747 0.905405
219 V3L 0.505376 0.945205
220 3AT 0.505376 0.972222
221 AVV 0.505155 0.897436
222 NAD TDB 0.504587 0.893333
223 NAD IBO 0.504587 0.893333
224 DSZ 0.5 0.802326
225 EAD 0.5 0.851852
226 MAO 0.5 0.761905
227 NSS 0.5 0.802326
228 P5A 0.5 0.747253
229 DSH 0.5 0.728395
230 LSS 0.5 0.764045
231 YLY 0.495726 0.811765
232 9K8 0.49505 0.698925
233 NVA LMS 0.494949 0.755556
234 DAT 0.494505 0.906667
235 5X8 0.494505 0.766234
236 NWW 0.493671 0.739726
237 D4F 0.491525 0.819277
238 AMP NAD 0.491228 0.881579
239 7MC 0.490909 0.843373
240 LEU LMS 0.49 0.733333
241 SMM 0.489583 0.689655
242 DTP 0.489362 0.906667
243 SAM 0.489362 0.694118
244 7DD 0.488889 0.958333
245 GJV 0.488636 0.753086
246 OVE 0.488372 0.881579
247 5AD 0.486842 0.726027
248 GSU 0.485149 0.781609
249 KAA 0.485149 0.755556
250 P1H 0.483871 0.831325
251 NDE 0.483871 0.907895
252 N0B 0.483333 0.821429
253 A3G 0.482759 0.802632
254 O05 0.480392 0.86747
255 NAJ PZO 0.478632 0.82716
256 SFG 0.478261 0.753247
257 4TA 0.478261 0.809524
258 NDC 0.47619 0.85
259 YSA 0.47619 0.781609
260 FB0 0.47619 0.827586
261 7DT 0.473118 0.958333
262 A7D 0.472527 0.779221
263 J4G 0.470588 0.921053
264 NJP 0.469565 0.921053
265 FDA 0.46875 0.835294
266 SA8 0.468085 0.710843
267 A5D 0.468085 0.766234
268 MHZ 0.467391 0.701149
269 K3K 0.466667 0.782051
270 8PZ 0.466667 0.802326
271 71V 0.466667 0.884615
272 0WD 0.465517 0.897436
273 6FA 0.465116 0.843373
274 GGZ 0.464646 0.804878
275 SAI 0.463158 0.7375
276 SAH 0.463158 0.746835
277 6C6 0.463158 0.883117
278 NAJ PYZ 0.46281 0.788235
279 Y3J 0.4625 0.706667
280 B1U 0.462264 0.72043
281 LQJ 0.462264 0.893333
282 7D7 0.461538 0.723684
283 TXP 0.46087 0.897436
284 PO4 PO4 A A A A PO4 0.460784 0.878378
285 S7M 0.459184 0.694118
286 6IA 0.458333 0.839506
287 DDS 0.458333 0.855263
288 FAD 0.458015 0.853659
289 SFD 0.458015 0.736842
290 FAS 0.458015 0.853659
291 K3E 0.457944 0.772152
292 ODP 0.456897 0.886076
293 A3S 0.456522 0.813333
294 7C5 0.453704 0.797468
295 AAT 0.453608 0.710843
296 EEM 0.453608 0.694118
297 RGT 0.45283 0.933333
298 NPW 0.452174 0.8875
299 NDP 0.452174 0.897436
300 FAY 0.451852 0.864198
301 PGS 0.451613 0.860759
302 KOY 0.45045 0.782051
303 D5M 0.449438 0.88
304 DA 0.449438 0.88
305 NEC 0.449438 0.727273
306 2SA 0.44898 0.933333
307 NIA 0.448276 0.802469
308 NZQ 0.448276 0.910256
309 A3T 0.446809 0.8
310 128 0.446429 0.758621
311 6K6 0.445545 0.905405
312 QXP 0.445545 0.767442
313 GEK 0.445545 0.740741
314 4YB 0.445455 0.764045
315 62F 0.444444 0.864198
316 FNK 0.444444 0.806818
317 V47 0.444444 0.763158
318 AAM 0.444444 0.944444
319 Z5A 0.443548 0.761364
320 WSA 0.442478 0.790698
321 AMZ 0.44186 0.891892
322 C2R 0.44186 0.88
323 PLP AAD 0.441667 0.717391
324 12D 0.441441 0.767442
325 XNP 0.440678 0.851852
326 RFL 0.437956 0.823529
327 62X 0.436893 0.670455
328 N6P 0.436893 0.890411
329 NWQ 0.436782 0.72
330 AIR 0.433735 0.876712
331 N5O 0.433333 0.766234
332 GP3 0.43299 0.897436
333 A6D 0.432692 0.705882
334 QXG 0.432692 0.758621
335 V1N 0.431193 0.893333
336 649 0.429825 0.747253
337 R2V 0.428571 0.767442
338 NA0 0.428571 0.907895
339 GP2 0.428571 0.910256
340 GDP 0.428571 0.896104
341 0UM 0.427184 0.702381
342 KYB 0.427184 0.73494
343 DCA 0.42623 0.825581
344 ETB 0.42623 0.835294
345 8Q2 0.426087 0.775281
346 9JJ 0.425532 0.841463
347 GNH 0.424242 0.884615
348 NAP 0.424 0.92
349 N5A 0.423913 0.74026
350 K2H 0.423077 0.7375
351 PUA 0.422764 0.8625
352 APU 0.422414 0.871795
353 101 0.422222 0.855263
354 K2W 0.422018 0.743902
355 3AD 0.421687 0.808219
356 KY2 0.421569 0.73494
357 FA9 0.42069 0.865854
358 TAP 0.420635 0.884615
359 TM1 0.420561 0.755814
360 P5F 0.41958 0.825581
361 0T1 0.419355 0.825581
362 COA 0.419355 0.825581
363 K15 0.419048 0.686047
364 NYZ 0.418367 0.910256
365 7RP 0.417582 0.902778
366 S8M 0.417476 0.7625
367 NHD 0.416667 0.881579
368 K38 0.416667 0.759494
369 GTP 0.415842 0.896104
370 K2K 0.415094 0.740741
371 FAJ 0.414966 0.833333
372 FCX 0.414062 0.797753
373 KL2 0.413793 0.815789
374 F2N 0.413793 0.816092
375 Q34 0.413793 0.678161
376 7RA 0.413043 0.931507
377 AS 0.413043 0.835443
378 G1R 0.411765 0.884615
379 K2R 0.411215 0.881579
380 SXZ 0.411215 0.714286
381 QQY 0.411111 0.794872
382 ACK 0.411111 0.837838
383 DZ4 0.41 0.883117
384 30N 0.409449 0.755319
385 1DG 0.409449 0.897436
386 DG1 0.409449 0.897436
387 J7V 0.409449 0.813953
388 AMX 0.409449 0.835294
389 CAO 0.409449 0.797753
390 COS 0.409449 0.806818
391 K3H 0.409091 0.731707
392 KYE 0.409091 0.717647
393 NAD BBN 0.408759 0.821429
394 8BR 0.408602 0.883117
395 EO7 0.408602 0.770115
396 9BG 0.408333 0.873418
397 NVA 2AD 0.408163 0.7625
398 9GM 0.407767 0.873418
399 D3Y 0.407767 0.792208
400 GSP 0.407767 0.851852
401 G2P 0.407767 0.910256
402 GNP 0.407767 0.873418
403 KY5 0.407407 0.728395
404 CC5 0.407407 0.819444
405 KB1 0.407407 0.702381
406 N01 0.406504 0.881579
407 SCO 0.40625 0.825581
408 CMX 0.40625 0.825581
409 HDV 0.405941 0.87013
410 Q2P 0.404959 0.678161
411 2BA 0.404255 0.890411
412 CMP 0.404255 0.876712
413 ACO 0.403101 0.797753
414 FAM 0.403101 0.806818
415 NAD CJ3 0.402878 0.793103
416 2VA 0.402062 0.779221
417 KY8 0.401869 0.731707
418 3NZ 0.401869 0.78481
419 CZF 0.4 0.906667
420 HAX 0.4 0.806818
421 QQX 0.4 0.78481
422 OZP 0.4 0.731707
423 26A 0.4 0.74359
424 NX8 0.4 0.719512
Similar Ligands (3D)
Ligand no: 1; Ligand: 3PG; Similar ligands found: 859
No: Ligand Similarity coefficient
1 OSE 0.9871
2 HPV 0.9809
3 GPJ 0.9759
4 13P 0.9735
5 MSL 0.9693
6 AKG 0.9684
7 PGH 0.9681
8 GP9 0.9674
9 GPF 0.9673
10 LTL 0.9653
11 2PG 0.9635
12 E4P 0.9626
13 CYX 0.9622
14 QMP 0.9618
15 OGA 0.9601
16 CHH 0.9598
17 CCE 0.9583
18 ZGL 0.9554
19 PSE 0.9551
20 ACH 0.9550
21 CCD 0.9547
22 2HG 0.9544
23 S2G 0.9543
24 AT3 0.9541
25 129 0.9541
26 DGN 0.9528
27 7OD 0.9528
28 PMF 0.9520
29 GLU 0.9519
30 LUQ 0.9518
31 DGL 0.9511
32 4LR 0.9508
33 GVM 0.9506
34 GLN 0.9504
35 IP8 0.9494
36 152 0.9481
37 PEP 0.9478
38 NM2 0.9475
39 2IT 0.9474
40 9ON 0.9471
41 2JJ 0.9470
42 MHO 0.9468
43 DS0 0.9467
44 1SA 0.9457
45 3S5 0.9442
46 3LR 0.9440
47 URQ 0.9421
48 1X4 0.9420
49 SME 0.9408
50 KPA 0.9402
51 SYC 0.9401
52 PPR 0.9401
53 PC 0.9399
54 B85 0.9397
55 ONL 0.9393
56 GZ3 0.9393
57 MES 0.9388
58 NM3 0.9384
59 RNT 0.9382
60 GGL 0.9379
61 TPO 0.9366
62 RTK 0.9364
63 HPS 0.9347
64 TSU 0.9342
65 HBU 0.9341
66 G2H 0.9340
67 XSP 0.9338
68 QFJ 0.9336
69 4NG 0.9334
70 2FT 0.9334
71 3SL 0.9333
72 O45 0.9331
73 1SH 0.9326
74 AMS 0.9319
75 GUA 0.9318
76 TIH 0.9312
77 F98 0.9309
78 DLY 0.9308
79 LFC 0.9307
80 DHI 0.9299
81 HHI 0.9299
82 NSB 0.9297
83 KDG 0.9295
84 SG3 0.9294
85 SPV 0.9294
86 FOM 0.9293
87 HIS 0.9291
88 KMH 0.9286
89 DYT 0.9276
90 5XB 0.9273
91 URO 0.9273
92 DAL DAL 0.9270
93 MLE 0.9268
94 SAN 0.9264
95 P22 0.9262
96 8GL 0.9259
97 HFA 0.9256
98 DIR 0.9252
99 NFA 0.9246
100 B40 0.9245
101 7C3 0.9243
102 0VT 0.9242
103 RUJ 0.9239
104 DPN 0.9238
105 PAC 0.9230
106 RAT 0.9228
107 KPC 0.9226
108 4J8 0.9224
109 5OY 0.9224
110 9GB 0.9224
111 KVV 0.9223
112 SHI 0.9223
113 DHM 0.9221
114 PHE 0.9218
115 GWM 0.9216
116 PMB 0.9212
117 4SX 0.9210
118 HF2 0.9208
119 Q9Z 0.9207
120 MAJ 0.9207
121 FBS 0.9205
122 URP 0.9204
123 8U3 0.9203
124 GLY GLY 0.9201
125 HGA 0.9199
126 ALA ALA 0.9195
127 11C 0.9192
128 AAS 0.9191
129 4FH 0.9190
130 S2P 0.9189
131 6JN 0.9187
132 XXG 0.9186
133 MF3 0.9185
134 3YP 0.9183
135 KVP 0.9182
136 BEZ 0.9181
137 SSC 0.9179
138 9YT 0.9177
139 51R 0.9177
140 4WL 0.9173
141 FBW 0.9165
142 TAR 0.9162
143 AOS 0.9161
144 SYM 0.9160
145 NF3 0.9160
146 XIZ 0.9160
147 RP3 0.9157
148 EKZ 0.9157
149 R67 0.9155
150 B3U 0.9155
151 PO6 0.9155
152 OKG 0.9153
153 MUC 0.9151
154 HSO 0.9150
155 CCU 0.9150
156 NLE 0.9148
157 DZA 0.9147
158 7N0 0.9147
159 IZC 0.9147
160 9J3 0.9146
161 LYN 0.9146
162 UN1 0.9143
163 FB2 0.9141
164 2AS 0.9140
165 RNS 0.9139
166 EVF 0.9139
167 OEG 0.9139
168 AL0 0.9136
169 PBC 0.9135
170 MZT 0.9134
171 FK8 0.9134
172 7BC 0.9132
173 LYS 0.9132
174 TCA 0.9131
175 PCA 0.9129
176 DXG 0.9128
177 FCR 0.9128
178 TLA 0.9128
179 X1S 0.9126
180 4NC 0.9125
181 93K 0.9123
182 3HG 0.9121
183 SRT 0.9119
184 DHB 0.9119
185 9X6 0.9118
186 DAS 0.9112
187 PZI 0.9110
188 QY9 0.9110
189 HIC 0.9110
190 GLO 0.9109
191 MEQ 0.9109
192 36E 0.9108
193 HCI 0.9108
194 SD4 0.9107
195 HL5 0.9106
196 R2P 0.9102
197 BEN 0.9101
198 ORN 0.9100
199 0L1 0.9099
200 4HP 0.9098
201 OVV 0.9097
202 8K2 0.9097
203 OHP 0.9096
204 CS2 0.9093
205 3OC 0.9092
206 CFI 0.9091
207 GAB 0.9091
208 GJZ 0.9090
209 ASP 0.9088
210 MET 0.9088
211 LX1 0.9087
212 3HB 0.9087
213 X0V 0.9085
214 MYJ 0.9085
215 AFS 0.9083
216 K7M 0.9082
217 R9S 0.9082
218 MLT 0.9081
219 4P5 0.9080
220 3PP 0.9079
221 CXP 0.9079
222 GCO 0.9078
223 FOC 0.9078
224 XYL 0.9076
225 RB5 0.9076
226 RB0 0.9076
227 INO 0.9076
228 4LW 0.9073
229 MED 0.9073
230 S8V 0.9072
231 MAH 0.9071
232 M45 0.9071
233 ASN 0.9071
234 BAM 0.9069
235 ESX 0.9068
236 7UC 0.9068
237 LEU 0.9067
238 TPA 0.9064
239 M4S 0.9063
240 2HO 0.9063
241 OOG 0.9061
242 ESP 0.9060
243 A3M 0.9060
244 RBL 0.9059
245 ISZ 0.9059
246 K5W 0.9058
247 FB1 0.9057
248 DAR 0.9057
249 8EW 0.9057
250 R9M 0.9053
251 PSJ 0.9053
252 4ZA 0.9053
253 EOU 0.9052
254 3QM 0.9051
255 SJ5 0.9050
256 AOT 0.9050
257 MHN 0.9049
258 P9P 0.9049
259 PPY 0.9048
260 PHU 0.9045
261 ASC 0.9045
262 XCZ 0.9044
263 BHU 0.9044
264 ACA 0.9043
265 6PC 0.9043
266 PAH 0.9042
267 M4T 0.9042
268 NCA 0.9042
269 9RW 0.9039
270 Q02 0.9039
271 QSB 0.9036
272 J0Z 0.9035
273 HPN 0.9033
274 CRN 0.9032
275 3NT 0.9032
276 MTL 0.9031
277 N4B 0.9029
278 SAF 0.9027
279 1AE 0.9026
280 268 0.9026
281 NIO 0.9026
282 PAB 0.9025
283 NYL 0.9025
284 98J 0.9025
285 PIY 0.9024
286 NPO 0.9024
287 RSO 0.9024
288 IOM 0.9023
289 ONH 0.9022
290 LMR 0.9021
291 TYL 0.9019
292 URS 0.9019
293 I38 0.9017
294 BHO 0.9017
295 53C 0.9016
296 SPA 0.9016
297 41K 0.9016
298 K6V 0.9016
299 IXW 0.9014
300 CHB 0.9014
301 2D8 0.9012
302 BNF 0.9011
303 173 0.9011
304 DCO 0.9011
305 FM4 0.9010
306 SMN 0.9010
307 2O6 0.9009
308 AEG 0.9009
309 AHN 0.9009
310 TIU 0.9008
311 3FH 0.9007
312 HYP 0.9006
313 8OZ 0.9005
314 OAA 0.9004
315 4LV 0.9004
316 OEM 0.9002
317 OAF 0.9002
318 RMN 0.9002
319 J9N 0.9001
320 I4B 0.9001
321 M74 0.8998
322 ROR 0.8998
323 HSX 0.8998
324 SOR 0.8997
325 ITN 0.8997
326 PHB 0.8995
327 5LD 0.8994
328 UNU 0.8991
329 HY1 0.8991
330 MSR 0.8991
331 KMT 0.8991
332 JAW 0.8987
333 FBM 0.8987
334 2HC 0.8986
335 HX4 0.8985
336 PRA 0.8985
337 5WZ 0.8984
338 P7Y 0.8983
339 PIM 0.8983
340 A5E 0.8983
341 ARG 0.8981
342 SKG 0.8981
343 SHV 0.8978
344 SDD 0.8978
345 EDR 0.8978
346 P80 0.8977
347 AHB 0.8977
348 TEO 0.8976
349 Q07 0.8976
350 NCT 0.8975
351 AG2 0.8973
352 AC6 0.8973
353 BHH 0.8972
354 DHS 0.8972
355 F9P 0.8971
356 ORO 0.8967
357 49F 0.8965
358 6FZ 0.8964
359 IHB 0.8964
360 3AB 0.8964
361 9TW 0.8964
362 449 0.8963
363 IVL 0.8961
364 2BX 0.8960
365 9SE 0.8960
366 Q03 0.8960
367 0HN 0.8960
368 XX2 0.8958
369 1F1 0.8958
370 GLR 0.8957
371 HJH 0.8957
372 4CS 0.8956
373 DBH 0.8956
374 GZL 0.8955
375 OK7 0.8954
376 ICB 0.8953
377 LNO 0.8952
378 6NT 0.8950
379 AMQ 0.8950
380 2ZM 0.8950
381 J9T 0.8948
382 SNU 0.8945
383 QDK 0.8945
384 3BU 0.8943
385 7WG 0.8942
386 4MA 0.8942
387 6TZ 0.8941
388 IFP 0.8941
389 SS1 0.8941
390 ILO 0.8940
391 GRF 0.8939
392 NIZ 0.8939
393 DE5 0.8938
394 LPK 0.8938
395 GRO 0.8938
396 BL0 0.8937
397 P72 0.8936
398 TZP 0.8934
399 F4E 0.8934
400 ABF 0.8933
401 650 0.8933
402 6NI 0.8932
403 DOR 0.8931
404 LLQ 0.8931
405 CMS 0.8930
406 5DL 0.8929
407 YCP 0.8928
408 COI 0.8927
409 DHY 0.8926
410 QUS 0.8926
411 RP5 0.8925
412 2CO 0.8925
413 P58 0.8925
414 BZ2 0.8924
415 R20 0.8924
416 E79 0.8924
417 PBA 0.8923
418 5NI 0.8922
419 C5A 0.8920
420 1FD 0.8919
421 HIO 0.8919
422 JDN 0.8918
423 L14 0.8917
424 MJ2 0.8917
425 OMD 0.8916
426 L5V 0.8915
427 BNL 0.8915
428 HHH 0.8915
429 3C4 0.8915
430 KTA 0.8915
431 SOL 0.8915
432 XUL 0.8914
433 0OC 0.8914
434 CPZ 0.8913
435 4TB 0.8913
436 S7A 0.8913
437 APG 0.8912
438 PBZ 0.8912
439 M6H 0.8911
440 UFV 0.8910
441 PH3 0.8910
442 3HP 0.8910
443 MD0 0.8909
444 M58 0.8909
445 1DV 0.8908
446 PRO GLY 0.8907
447 RHU 0.8907
448 0A9 0.8904
449 EN1 0.8904
450 PLU 0.8903
451 4JC 0.8902
452 ENV 0.8901
453 DQY 0.8899
454 QSC 0.8897
455 FA1 0.8896
456 NLP 0.8895
457 2RH 0.8895
458 XRX 0.8894
459 LQ2 0.8893
460 JB8 0.8892
461 3NY 0.8892
462 LY0 0.8892
463 DII 0.8891
464 BRH 0.8891
465 P9E 0.8891
466 36Y 0.8891
467 PEL 0.8890
468 A13 0.8890
469 PHI 0.8890
470 1BN 0.8890
471 4NZ 0.8889
472 G8M 0.8889
473 FBV 0.8889
474 K6H 0.8888
475 7A8 0.8888
476 SKF 0.8888
477 MEV 0.8888
478 1L5 0.8887
479 Q04 0.8887
480 HHA 0.8887
481 1Y6 0.8885
482 SVD 0.8885
483 HDH 0.8885
484 PFF 0.8883
485 SIN 0.8883
486 A09 0.8882
487 OCA 0.8881
488 HPP 0.8881
489 CIZ 0.8880
490 TYR 0.8879
491 DTY 0.8879
492 TAG 0.8878
493 TYE 0.8878
494 AZM 0.8878
495 LR5 0.8877
496 IAC 0.8876
497 TZF 0.8874
498 6OT 0.8873
499 LVD 0.8873
500 FBU 0.8872
501 K34 0.8871
502 HQJ 0.8871
503 JYD 0.8871
504 258 0.8871
505 HL4 0.8871
506 Z82 0.8870
507 ANN 0.8870
508 IOS 0.8870
509 8SZ 0.8870
510 HDL 0.8870
511 LLH 0.8869
512 FBF 0.8868
513 61M 0.8868
514 PNZ 0.8868
515 3MV 0.8866
516 N9J 0.8866
517 UGC 0.8865
518 GOJ 0.8864
519 3BZ 0.8864
520 3AE 0.8863
521 L99 0.8863
522 CXF 0.8862
523 5FX 0.8862
524 88L 0.8862
525 GLL 0.8860
526 DBX 0.8860
527 FAN 0.8860
528 GYE 0.8859
529 911 0.8858
530 GLY ALA 0.8857
531 DI6 0.8857
532 EHM 0.8856
533 MP5 0.8855
534 HBD 0.8855
535 BTM 0.8852
536 069 0.8851
537 LT2 0.8849
538 PAF 0.8848
539 Q06 0.8847
540 IWT 0.8847
541 ASO 0.8846
542 F06 0.8846
543 KBZ 0.8846
544 CIR 0.8845
545 40E 0.8845
546 D1X 0.8845
547 BNS 0.8844
548 SKM 0.8842
549 3A9 0.8841
550 X1R 0.8841
551 FUD 0.8840
552 YZM 0.8840
553 2AL 0.8840
554 1P3 0.8840
555 4NB 0.8839
556 CLT 0.8839
557 PPT 0.8839
558 3PO 0.8839
559 MPV 0.8837
560 LSQ 0.8837
561 SS2 0.8837
562 3PF 0.8836
563 KOJ 0.8836
564 S7J 0.8836
565 OTR 0.8836
566 4PN 0.8835
567 GGB 0.8835
568 SNE 0.8834
569 0BP 0.8834
570 DLT 0.8834
571 M3H 0.8832
572 LNR 0.8832
573 GVG 0.8832
574 HC4 0.8831
575 E5X 0.8831
576 XM0 0.8830
577 PIS 0.8830
578 ABI 0.8828
579 A29 0.8827
580 NNO 0.8826
581 6DP 0.8826
582 NXA 0.8825
583 KBB 0.8823
584 3CR 0.8823
585 XLS 0.8822
586 0HO 0.8821
587 GDE 0.8821
588 FQI 0.8820
589 4A3 0.8817
590 2F6 0.8816
591 ISA 0.8815
592 97T 0.8815
593 HYA 0.8813
594 LGT 0.8811
595 C1M 0.8811
596 1DJ 0.8810
597 KPL 0.8809
598 MSE 0.8808
599 TX4 0.8808
600 RJY 0.8806
601 OXC 0.8806
602 SHO 0.8805
603 XXP 0.8805
604 NMJ 0.8804
605 J9Q 0.8804
606 EXD 0.8804
607 DMV 0.8802
608 PEA 0.8801
609 7VP 0.8796
610 SW7 0.8794
611 FHB 0.8794
612 8WO 0.8793
613 ISD 0.8791
614 6NA 0.8790
615 SOE 0.8788
616 MDN 0.8787
617 ALE 0.8787
618 AM4 0.8786
619 CNL 0.8786
620 9RH 0.8786
621 HNK 0.8785
622 WCE 0.8785
623 DHK 0.8784
624 MVH 0.8784
625 P81 0.8783
626 JF6 0.8782
627 MAE 0.8780
628 271 0.8779
629 AMH 0.8779
630 HTX 0.8779
631 API 0.8778
632 POP 0.8777
633 PPV 0.8776
634 KYN 0.8775
635 6LW 0.8775
636 263 0.8774
637 2HU 0.8774
638 TEG 0.8771
639 YRL 0.8770
640 FV1 0.8769
641 AHC 0.8768
642 FSG 0.8767
643 LAO 0.8767
644 PG0 0.8767
645 UA5 0.8764
646 MXN 0.8764
647 FUM 0.8763
648 PEZ 0.8762
649 3HM 0.8761
650 S0W 0.8760
651 4CM 0.8759
652 6M4 0.8759
653 SC2 0.8758
654 ICF 0.8758
655 52C 0.8758
656 3V4 0.8758
657 2PN 0.8757
658 AEF 0.8756
659 CH9 0.8755
660 XDK 0.8754
661 23J 0.8753
662 VKC 0.8752
663 YOF 0.8752
664 AHR 0.8750
665 DA4 0.8749
666 ZXD 0.8749
667 BPN 0.8748
668 XYH 0.8746
669 X8Z 0.8744
670 92K 0.8741
671 S24 0.8741
672 JLZ 0.8741
673 DAV 0.8740
674 0CG 0.8738
675 4MV 0.8737
676 ENO 0.8736
677 TZE 0.8735
678 2LP 0.8735
679 QIC 0.8735
680 GBN 0.8734
681 826 0.8733
682 Y4L 0.8732
683 TMH 0.8732
684 LDP 0.8731
685 X1P 0.8731
686 N8P 0.8730
687 ILE 0.8730
688 CIT 0.8729
689 5LA 0.8729
690 I1E 0.8728
691 JRB 0.8724
692 Z13 0.8723
693 CFA 0.8723
694 KDF 0.8722
695 HA5 0.8721
696 VGL 0.8721
697 HQ9 0.8720
698 RLG 0.8717
699 HNL 0.8717
700 FEH 0.8717
701 PCT 0.8716
702 4V2 0.8715
703 54D 0.8714
704 YPN 0.8714
705 ZBT 0.8712
706 RBJ 0.8711
707 E0O 0.8711
708 4BZ 0.8710
709 HX2 0.8707
710 SNO 0.8707
711 SN4 0.8706
712 CDV 0.8706
713 STT 0.8705
714 16D 0.8705
715 717 0.8704
716 7MU 0.8703
717 SHF 0.8702
718 92G 0.8701
719 4FA 0.8701
720 FHC 0.8701
721 AVI 0.8698
722 L22 0.8698
723 A5P 0.8697
724 MT2 0.8697
725 3AL 0.8696
726 56D 0.8696
727 XRG 0.8695
728 RNO 0.8695
729 9FE 0.8694
730 505 0.8693
731 RUY 0.8692
732 1LN 0.8692
733 RIB 0.8689
734 PJL 0.8689
735 8GC 0.8688
736 KTW 0.8688
737 HDA 0.8687
738 MZM 0.8685
739 5HN 0.8682
740 PG3 0.8682
741 H95 0.8681
742 FLC 0.8680
743 2EH 0.8679
744 FP1 0.8677
745 PKU 0.8675
746 DHC 0.8675
747 ESI 0.8672
748 NK1 0.8670
749 BDF 0.8668
750 FBJ 0.8667
751 F31 0.8667
752 OVM 0.8666
753 2NP 0.8664
754 1PS 0.8664
755 1A7 0.8663
756 9BF 0.8663
757 LCN 0.8663
758 4XV 0.8663
759 2BG 0.8661
760 4NM 0.8660
761 EYK 0.8658
762 4RW 0.8657
763 DMJ 0.8657
764 EUE 0.8656
765 GO2 0.8655
766 PD2 0.8655
767 TZM 0.8650
768 THE 0.8650
769 XBT 0.8650
770 UY7 0.8650
771 ZZU 0.8649
772 4P0 0.8649
773 HZP 0.8649
774 GTK 0.8648
775 174 0.8646
776 EYV 0.8645
777 TT4 0.8645
778 HSE 0.8645
779 PTO 0.8643
780 DX5 0.8642
781 CXH 0.8641
782 5XC 0.8641
783 MNN 0.8640
784 FCN 0.8638
785 M44 0.8637
786 PDC 0.8637
787 0JD 0.8636
788 JZ7 0.8636
789 S0E 0.8635
790 1WC 0.8635
791 F12 0.8634
792 1M2 0.8634
793 AI2 0.8633
794 DHR 0.8633
795 HSM 0.8632
796 TZL 0.8629
797 PJW 0.8629
798 791 0.8628
799 BZ3 0.8628
800 TNE 0.8624
801 40F 0.8623
802 GVY 0.8623
803 3ID 0.8622
804 XYS 0.8622
805 NMG 0.8621
806 OPE 0.8620
807 N2Z 0.8619
808 264 0.8617
809 FAC 0.8617
810 BSX 0.8617
811 1Z6 0.8613
812 MAN 0.8610
813 IT9 0.8610
814 OXZ 0.8604
815 UYA 0.8600
816 JFJ 0.8598
817 C82 0.8597
818 15N 0.8597
819 AC0 0.8594
820 KNA 0.8594
821 DCL 0.8593
822 3MB 0.8593
823 RIP 0.8592
824 RUU 0.8591
825 1XA 0.8590
826 H42 0.8590
827 DDU 0.8589
828 M6W 0.8589
829 0W1 0.8585
830 261 0.8584
831 F4K 0.8582
832 BVA 0.8581
833 AX3 0.8581
834 IFL 0.8579
835 CEE 0.8578
836 3IT 0.8577
837 M5E 0.8575
838 7VD 0.8574
839 JZ4 0.8573
840 0MK 0.8573
841 GXL 0.8572
842 A9P 0.8572
843 428 0.8569
844 I3E 0.8564
845 TB6 0.8563
846 3ZB 0.8560
847 6KT 0.8559
848 6CS 0.8559
849 PRZ 0.8558
850 ONR 0.8551
851 259 0.8547
852 XQI 0.8546
853 GG6 0.8542
854 UNJ 0.8536
855 BRT 0.8533
856 9X7 0.8525
857 4HM 0.8513
858 46P 0.8507
859 DQA 0.8506
Ligand no: 2; Ligand: ACP; Similar ligands found: 29
No: Ligand Similarity coefficient
1 ADP ALF 0.9672
2 ALF GDP 0.9574
3 GDP ALF 0.9543
4 GDP BEF 0.9527
5 ADP AF3 0.9456
6 GDP AF3 0.9455
7 BEF GDP 0.9450
8 DBG 0.9389
9 UTP 0.9261
10 GDP MG 0.9218
11 MGT 0.9160
12 DGT 0.9114
13 MGP 0.9094
14 MGO 0.9077
15 TTP 0.9066
16 CTP 0.9009
17 Y9Z 0.9008
18 ADP VO4 0.8876
19 DCP 0.8847
20 GAV 0.8811
21 UNP 0.8752
22 2KH 0.8740
23 GH3 0.8712
24 DGI 0.8664
25 MOD 0.8652
26 IDP 0.8650
27 DUT 0.8592
28 M7G 0.8562
29 DUP 0.8558
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4O33; Ligand: TZN; 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: 4o33.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4O33; Ligand: 3PG; 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: 4o33.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
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