Receptor
PDB id Resolution Class Description Source Keywords
1HDI 1.8 Å EC: 2.7.2.3 PIG MUSCLE 3-PHOSPHOGLYCERATE KINASE COMPLEXED WITH 3-PG AND SUS SCROFA PHOSPHOTRANSFERASE KINASE PHOSPHOGLYCERATE TERNARY COMPLEGLYCOLYSIS
Ref.: A 1.8 A RESOLUTION STRUCTURE OF PIG MUSCLE 3-PHOSPHOGLYCERATE KINASE WITH BOUND MGADP AND 3-PHOSPHOGLYCERATE IN OPEN CONFORMATION: NEW INSIGH THE ROLE OF THE NUCLEOTIDE IN DOMAIN CLOSURE. J. MOL. BIOL. V. 306 499 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3PG A:419;
 Valid;
 none;
 submit data
186.057 C3 H7 O7 P C([C@...
AMP A:417;
 Valid;
 none;
 submit data
347.221 C10 H14 N5 O7 P c1nc(...
MG A:418;
 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: AMP; Similar ligands found: 456
No: Ligand ECFP6 Tc MDL keys Tc
1 AMP 1 1
2 A 1 1
3 45A 0.833333 0.943662
4 ABM 0.833333 0.943662
5 A2D 0.833333 0.943662
6 AMP MG 0.830769 0.956522
7 ADP 0.823529 0.971429
8 BA3 0.808824 0.943662
9 AP2 0.808824 0.931507
10 A12 0.808824 0.931507
11 SRA 0.80303 0.944444
12 AP5 0.797101 0.943662
13 B4P 0.797101 0.943662
14 HEJ 0.788732 0.971429
15 ATP 0.788732 0.971429
16 AN2 0.785714 0.957747
17 AT4 0.785714 0.931507
18 APC 0.777778 0.931507
19 5FA 0.777778 0.971429
20 AQP 0.777778 0.971429
21 AU1 0.774648 0.944444
22 CA0 0.774648 0.917808
23 ADX 0.774648 0.848101
24 M33 0.774648 0.930556
25 KG4 0.763889 0.917808
26 ACP 0.763889 0.944444
27 50T 0.763889 0.957747
28 ADP BEF 0.760563 0.942857
29 ADP MG 0.760563 0.942857
30 25A 0.75641 0.971429
31 APR 0.753425 0.943662
32 AR6 0.753425 0.943662
33 PRX 0.753425 0.917808
34 TAT 0.746667 0.931507
35 T99 0.746667 0.931507
36 ACQ 0.746667 0.944444
37 AGS 0.743243 0.918919
38 RBY 0.743243 0.905405
39 ADV 0.743243 0.905405
40 AD9 0.743243 0.944444
41 ANP 0.723684 0.944444
42 APC MG 0.72 0.916667
43 ATP MG 0.72 0.942857
44 ADP PO3 0.72 0.942857
45 6YZ 0.717949 0.944444
46 5AL 0.714286 0.930556
47 V2G 0.714286 0.894737
48 8LE 0.714286 0.893333
49 SON 0.712329 0.931507
50 BEF ADP 0.710526 0.916667
51 LMS 0.710145 0.825
52 ADN 0.709677 0.842857
53 RAB 0.709677 0.842857
54 XYA 0.709677 0.842857
55 HQG 0.708861 0.957747
56 ATF 0.705128 0.931507
57 GAP 0.701299 0.891892
58 A22 0.7 0.957747
59 8LH 0.696203 0.905405
60 SRP 0.696203 0.905405
61 7D5 0.691176 0.902778
62 A2P 0.684932 0.956522
63 A3P 0.684932 0.971014
64 ALF ADP 0.683544 0.868421
65 ANP MG 0.683544 0.930556
66 VO4 ADP 0.683544 0.944444
67 ADQ 0.682927 0.917808
68 MAP 0.679012 0.918919
69 QA7 0.679012 0.893333
70 8LQ 0.679012 0.905405
71 5SV 0.670732 0.87013
72 OZV 0.670732 0.943662
73 9ZA 0.670732 0.906667
74 9ZD 0.670732 0.906667
75 OOB 0.670732 0.930556
76 8QN 0.670732 0.930556
77 PTJ 0.670588 0.894737
78 AOC 0.666667 0.84507
79 A1R 0.662651 0.881579
80 A3R 0.662651 0.881579
81 AMO 0.662651 0.905405
82 PAJ 0.662651 0.858974
83 4AD 0.662651 0.893333
84 5N5 0.661538 0.816901
85 DAL AMP 0.658537 0.90411
86 IMO 0.657534 0.928571
87 DLL 0.654762 0.930556
88 00A 0.654762 0.881579
89 AHX 0.654762 0.87013
90 JNT 0.654762 0.917808
91 5AS 0.653333 0.776471
92 A4D 0.651515 0.816901
93 5CD 0.651515 0.828571
94 6MZ 0.648649 0.957143
95 ADP BMA 0.647059 0.891892
96 3UK 0.647059 0.917808
97 OAD 0.647059 0.917808
98 9X8 0.647059 0.893333
99 25L 0.643678 0.957747
100 PR8 0.639535 0.848101
101 WAQ 0.639535 0.881579
102 LAD 0.639535 0.858974
103 B5V 0.639535 0.905405
104 DTA 0.637681 0.808219
105 V3L 0.6375 0.971429
106 3DH 0.633803 0.794521
107 3OD 0.632184 0.917808
108 FYA 0.632184 0.930556
109 BIS 0.632184 0.906667
110 TXA 0.632184 0.905405
111 1ZZ 0.632184 0.8375
112 ME8 0.632184 0.8375
113 NB8 0.632184 0.87013
114 MTA 0.628571 0.794521
115 3AM 0.625 0.956522
116 EP4 0.623188 0.773333
117 9SN 0.617977 0.87013
118 M2T 0.614286 0.753247
119 JB6 0.613636 0.881579
120 KMQ 0.611111 0.905405
121 FA5 0.611111 0.905405
122 B5Y 0.611111 0.893333
123 B5M 0.611111 0.893333
124 H1Q 0.607595 0.929577
125 MYR AMP 0.606742 0.814815
126 G5A 0.604938 0.776471
127 XAH 0.604396 0.8375
128 4UV 0.597826 0.893333
129 71V 0.597403 0.906667
130 ATP A 0.593407 0.929577
131 ATP A A A 0.593407 0.929577
132 PAP 0.592593 0.957143
133 G3A 0.591398 0.894737
134 2AM 0.589041 0.942857
135 5X8 0.5875 0.783784
136 6RE 0.586667 0.779221
137 6C6 0.585366 0.905405
138 G5P 0.585106 0.894737
139 AFH 0.585106 0.858974
140 4UU 0.585106 0.893333
141 GA7 0.585106 0.905405
142 7D3 0.584416 0.878378
143 A5A 0.583333 0.804878
144 TSB 0.581395 0.795181
145 AMP DBH 0.580645 0.891892
146 2A5 0.580247 0.891892
147 TAD 0.578947 0.858974
148 GTA 0.578947 0.860759
149 DQV 0.578947 0.930556
150 DSH 0.578947 0.74359
151 6IA 0.578313 0.858974
152 SSA 0.576471 0.776471
153 AMZ 0.575342 0.888889
154 C2R 0.575342 0.876712
155 7D4 0.575 0.878378
156 PGS 0.575 0.857143
157 ZAS 0.573333 0.786667
158 ATR 0.573171 0.942857
159 LAQ 0.572917 0.8375
160 AAM 0.571429 1
161 PPS 0.571429 0.848101
162 A3N 0.571429 0.783784
163 J7C 0.571429 0.789474
164 AIR 0.571429 0.927536
165 52H 0.569767 0.776471
166 54H 0.569767 0.785714
167 VMS 0.569767 0.785714
168 7MD 0.568421 0.8375
169 ARG AMP 0.568421 0.82716
170 AR6 AR6 0.568421 0.916667
171 YLP 0.56701 0.817073
172 48N 0.56701 0.87013
173 OVE 0.565789 0.90411
174 UPA 0.565657 0.881579
175 2SA 0.564706 0.905405
176 S4M 0.564103 0.682353
177 5CA 0.563218 0.776471
178 53H 0.563218 0.776471
179 8X1 0.563218 0.75
180 6V0 0.561224 0.87013
181 NAX 0.561224 0.848101
182 4UW 0.561224 0.858974
183 TXD 0.561224 0.881579
184 UP5 0.561224 0.893333
185 NAI 0.561224 0.881579
186 DND 0.561224 0.905405
187 NIA 0.56 0.820513
188 D5M 0.558442 0.902778
189 DA 0.558442 0.902778
190 NWW 0.557143 0.757143
191 MAO 0.556962 0.777778
192 AHZ 0.556701 0.814815
193 TXE 0.555556 0.881579
194 TYM 0.555556 0.905405
195 ITT 0.555556 0.915493
196 OMR 0.555556 0.82716
197 5AD 0.552239 0.768116
198 A2R 0.551724 0.957747
199 LPA AMP 0.55102 0.814815
200 DSZ 0.550562 0.776471
201 NSS 0.550562 0.776471
202 LSS 0.550562 0.758621
203 YLC 0.55 0.8375
204 L3W 0.55 0.905405
205 YLB 0.55 0.817073
206 AP0 0.55 0.87013
207 4TC 0.55 0.87013
208 P5A 0.549451 0.741573
209 J4G 0.549451 0.918919
210 139 0.54902 0.848101
211 O02 0.547619 0.894737
212 A4P 0.544554 0.819277
213 NVA LMS 0.544444 0.75
214 GJV 0.544304 0.769231
215 7D7 0.544118 0.763889
216 9K8 0.543478 0.711111
217 A7D 0.54321 0.797297
218 AF3 ADP 3PG 0.54 0.835443
219 ALF ADP 3PG 0.54 0.835443
220 6K6 0.539326 0.957143
221 IOT 0.539216 0.829268
222 LEU LMS 0.538462 0.747126
223 A3G 0.538462 0.797297
224 A5D 0.535714 0.808219
225 NAD IBO 0.534653 0.916667
226 7MC 0.534653 0.817073
227 NAD TDB 0.534653 0.916667
228 YLA 0.533981 0.817073
229 T5A 0.533981 0.817073
230 ADJ 0.533981 0.82716
231 GSU 0.532609 0.776471
232 KAA 0.532609 0.75
233 7RA 0.531646 0.985507
234 SFG 0.53012 0.77027
235 SAH 0.529412 0.763158
236 HFD 0.529412 0.918919
237 JSQ 0.529412 0.918919
238 AYB 0.528846 0.807229
239 CNA 0.528846 0.905405
240 N6P 0.527473 0.942029
241 8BR 0.525 0.931507
242 F2R 0.52381 0.839506
243 80F 0.523364 0.817073
244 Y3J 0.521127 0.746479
245 YSA 0.520833 0.776471
246 7RP 0.518987 0.955882
247 NAD 0.518868 0.930556
248 BTX 0.518868 0.839506
249 COD 0.518868 0.788235
250 MHZ 0.518072 0.714286
251 SA8 0.517647 0.725
252 6AD 0.517241 0.883117
253 BT5 0.514019 0.829268
254 DZD 0.514019 0.858974
255 RMB 0.5125 0.898551
256 CUU 0.511905 0.943662
257 SAI 0.511628 0.753247
258 AV2 0.511364 0.890411
259 K2R 0.510638 0.878378
260 8PZ 0.510417 0.776471
261 K3K 0.510417 0.8
262 A3D 0.509259 0.917808
263 A3S 0.506024 0.808219
264 3AT 0.505747 0.943662
265 SAM 0.505747 0.707317
266 SMM 0.505618 0.702381
267 NA7 0.505376 0.931507
268 B1U 0.505155 0.733333
269 AMP NAD 0.504673 0.90411
270 4TA 0.504673 0.804878
271 5GP 0.5 0.905405
272 EEM 0.5 0.707317
273 NEC 0.5 0.743243
274 NO7 0.5 0.905405
275 G 0.5 0.905405
276 AAT 0.5 0.725
277 YLY 0.495495 0.807229
278 M24 0.495495 0.848101
279 7C5 0.494949 0.815789
280 A3T 0.494118 0.819444
281 DAT 0.494118 0.878378
282 FAI 0.493827 0.888889
283 P2P 0.493827 0.928571
284 1RB 0.493671 0.911765
285 NAE 0.491071 0.893333
286 D4F 0.491071 0.8375
287 NAJ PZO 0.490909 0.846154
288 KOY 0.490196 0.8
289 LQJ 0.489796 0.916667
290 TM1 0.489583 0.771084
291 PO4 PO4 A A A A PO4 0.489362 0.901408
292 A6D 0.489362 0.740741
293 QXP 0.48913 0.761905
294 V47 0.488889 0.780822
295 S7M 0.488889 0.707317
296 DTP 0.488636 0.878378
297 RBZ 0.4875 0.873239
298 101 0.4875 0.902778
299 NWQ 0.487179 0.736111
300 EAD 0.486957 0.848101
301 NAQ 0.486726 0.87013
302 4YB 0.485149 0.758621
303 K3E 0.484848 0.789474
304 NDE 0.483051 0.931507
305 38V 0.482456 0.860759
306 N0B 0.482456 0.817073
307 ZID 0.482456 0.917808
308 N5O 0.481481 0.76
309 WSA 0.480769 0.785714
310 KL2 0.480519 0.861111
311 RGT 0.479592 0.931507
312 ARU 0.478723 0.835443
313 GGZ 0.478261 0.8
314 JLN 0.47561 0.863014
315 ANZ 0.475248 0.820513
316 QQY 0.475 0.837838
317 ACK 0.475 0.885714
318 QXG 0.473684 0.752941
319 NAJ PYZ 0.473684 0.804878
320 S8M 0.473118 0.779221
321 AVV 0.473118 0.87013
322 GEK 0.473118 0.734177
323 3AD 0.472973 0.828571
324 P1H 0.470588 0.82716
325 N5A 0.46988 0.733333
326 R2V 0.46875 0.761905
327 0UM 0.468085 0.716049
328 RVP 0.467532 0.847222
329 649 0.466667 0.741573
330 Z5A 0.465517 0.776471
331 PMO 0.464286 0.873239
332 O05 0.463918 0.819277
333 SXZ 0.463918 0.707317
334 62X 0.463158 0.682353
335 K2H 0.463158 0.753247
336 QQX 0.4625 0.826667
337 KY2 0.462366 0.75
338 8Q2 0.462264 0.75
339 OK8 0.461538 0.853333
340 K2W 0.46 0.7375
341 2VA 0.45977 0.797297
342 IMP 0.458824 0.90411
343 CC5 0.458333 0.84058
344 K15 0.458333 0.698795
345 AS 0.457831 0.855263
346 DDS 0.455556 0.851351
347 V1N 0.455446 0.943662
348 NJP 0.454545 0.918919
349 K38 0.454545 0.776316
350 K2K 0.453608 0.734177
351 7DD 0.453488 0.957143
352 G7M 0.453488 0.87013
353 93A 0.453488 0.804878
354 3D1 0.453333 0.77027
355 3L1 0.453333 0.77027
356 KYB 0.452632 0.75
357 EO7 0.452381 0.785714
358 NDC 0.45082 0.87013
359 FB0 0.45082 0.781609
360 DZ4 0.450549 0.855263
361 0WD 0.45045 0.894737
362 NVA 2AD 0.449438 0.75641
363 26A 0.447368 0.76
364 2FA 0.447368 0.810811
365 2BA 0.447059 0.914286
366 CMP 0.447059 0.927536
367 D3Y 0.446809 0.786667
368 K3H 0.445545 0.746835
369 VRT 0.444444 0.766234
370 APU 0.444444 0.893333
371 KB1 0.444444 0.716049
372 KY5 0.444444 0.74359
373 SO8 0.444444 0.786667
374 FDA 0.443548 0.809524
375 PUA 0.443478 0.858974
376 ODP 0.441441 0.883117
377 6FA 0.44 0.817073
378 NX8 0.43956 0.7125
379 RP1 0.439024 0.864865
380 SP1 0.439024 0.864865
381 103 0.439024 0.861111
382 3NZ 0.438776 0.779221
383 KY8 0.438776 0.746835
384 7DT 0.438202 0.957143
385 NDP 0.436364 0.894737
386 NPW 0.436364 0.860759
387 MTP 0.434211 0.727273
388 FAD 0.433071 0.82716
389 SFD 0.433071 0.712766
390 FAS 0.433071 0.82716
391 TXP 0.432432 0.894737
392 IRN 0.432432 0.867647
393 NZQ 0.432432 0.883117
394 ZZB 0.432432 0.792683
395 KYE 0.431373 0.731707
396 62F 0.430769 0.8375
397 FNK 0.430769 0.781609
398 128 0.429907 0.752941
399 9BG 0.428571 0.87013
400 KXW 0.428571 0.725
401 6MD 0.428571 0.805556
402 PAX 0.428571 0.82716
403 1DA 0.428571 0.842857
404 SLU 0.426087 0.767442
405 PLP AAD 0.426087 0.75
406 XNP 0.424779 0.848101
407 HZ2 0.424528 0.728395
408 12D 0.424528 0.761905
409 5F1 0.423077 0.72973
410 DCA 0.422414 0.8
411 ETB 0.422414 0.809524
412 NWZ 0.422222 0.7
413 F0P 0.422018 0.725
414 ERJ 0.421687 0.777778
415 WMP 0.421053 0.864865
416 GUO 0.421053 0.864865
417 OZP 0.420561 0.725
418 U4Y 0.420561 0.734177
419 HY8 0.416667 0.728395
420 FAY 0.416667 0.8375
421 38Y 0.415929 0.804878
422 5J9 0.415842 0.728395
423 NAD BBN 0.415385 0.817073
424 COA 0.415254 0.8
425 0T1 0.415254 0.8
426 KH3 0.415094 0.690476
427 N01 0.413793 0.90411
428 FMP 0.413793 0.871429
429 RFL 0.413534 0.797619
430 NMN AMP PO4 0.412281 0.868421
431 NAD CJ3 0.409091 0.788235
432 Q34 0.409091 0.690476
433 Q2M 0.409091 0.707317
434 GDP 0.408602 0.893333
435 GP2 0.408602 0.858974
436 NAP 0.408333 0.944444
437 NOC 0.407895 0.760563
438 CNV FAD 0.407407 0.770115
439 2ER 0.405941 0.831169
440 1PR 0.405941 0.820513
441 P5F 0.405797 0.8
442 CAO 0.404959 0.772727
443 30N 0.404959 0.731183
444 TAP 0.404959 0.906667
445 COS 0.404959 0.781609
446 AMX 0.404959 0.809524
447 EU9 0.40367 0.681818
448 XMP 0.402299 0.891892
449 G2P 0.402062 0.858974
450 NA0 0.401639 0.931507
451 CMX 0.401639 0.8
452 SCO 0.401639 0.8
453 9JJ 0.40146 0.8375
454 Q2P 0.4 0.690476
455 N37 0.4 0.730769
456 F2N 0.4 0.790698
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: AMP; Similar ligands found: 216
No: Ligand Similarity coefficient
1 IRP 0.9883
2 DI 0.9755
3 8OP 0.9715
4 IMU 0.9698
5 TKW 0.9696
6 MZP 0.9690
7 PFU 0.9673
8 5FU 0.9664
9 DG 0.9620
10 6MA 0.9618
11 6CG 0.9613
12 U5P 0.9607
13 DGP 0.9601
14 PSU 0.9555
15 C5P 0.9513
16 FDM 0.9499
17 TMP 0.9498
18 5BU 0.9493
19 QBT 0.9492
20 FNU 0.9488
21 8GM 0.9484
22 UFP 0.9484
23 NYM 0.9477
24 5HM 0.9472
25 6OG 0.9471
26 5CM 0.9461
27 16B 0.9451
28 FN5 0.9442
29 NCN 0.9424
30 C 0.9418
31 9L3 0.9417
32 Z8B 0.9410
33 UP6 0.9400
34 NMN 0.9397
35 H2U 0.9395
36 ICR 0.9389
37 BMP 0.9380
38 UMP 0.9373
39 U 0.9368
40 BRU 0.9365
41 CH 0.9364
42 BMQ 0.9360
43 MTH 0.9360
44 8OG 0.9356
45 MTM 0.9347
46 CNU 0.9342
47 MTI 0.9342
48 6SW 0.9342
49 D4M 0.9334
50 2DT 0.9334
51 UMC 0.9304
52 CAR 0.9298
53 5IU 0.9287
54 5HU 0.9283
55 O7E 0.9281
56 DCM 0.9270
57 KB7 0.9270
58 DU 0.9269
59 DC 0.9269
60 NUP 0.9238
61 7CH 0.9219
62 DDN 0.9211
63 MCF 0.9205
64 PCG 0.9201
65 O8M 0.9197
66 DUS 0.9192
67 U6M 0.9180
68 S5P 0.9167
69 DOC 0.9149
70 3F5 0.9146
71 6SX 0.9133
72 U4S 0.9101
73 35G 0.9100
74 N8M 0.9089
75 6CN 0.9083
76 CDP 0.9080
77 T3S 0.9079
78 U1S 0.9071
79 MTE 0.9067
80 U2S 0.9058
81 DBM 0.9053
82 BVP 0.9052
83 4X2 0.9040
84 ATM 0.9025
85 SB8 0.9022
86 INR 0.9008
87 UA2 0.9007
88 A8M 0.9006
89 IMH 0.9006
90 TAL 0.8998
91 SSI 0.8986
92 U3S 0.8983
93 1B6 0.8972
94 3Q1 0.8972
95 TBN 0.8968
96 NOS 0.8966
97 IXF 0.8952
98 AD3 0.8932
99 1BJ 0.8932
100 SU1 0.8927
101 43J 0.8924
102 6SY 0.8920
103 9ZS 0.8918
104 IDP 0.8918
105 6SZ 0.8915
106 JW5 0.8914
107 OMP 0.8905
108 CC7 0.8903
109 T7O 0.8893
110 6AU 0.8887
111 PRH 0.8871
112 HPR 0.8871
113 2GE 0.8871
114 3Q2 0.8869
115 FMC 0.8862
116 ARJ 0.8861
117 9DI 0.8859
118 GNH 0.8855
119 3Q0 0.8849
120 GMP 0.8848
121 FMB 0.8845
122 4EZ 0.8839
123 K8W 0.8831
124 UM3 0.8830
125 MI1 0.8828
126 5ID 0.8815
127 NVV 0.8812
128 HDU 0.8812
129 43G 0.8808
130 UDP 0.8793
131 CFE 0.8793
132 FTU 0.8791
133 HMK 0.8787
134 5FD 0.8778
135 DN8 0.8777
136 72H 0.8776
137 7CU 0.8776
138 2OM 0.8774
139 CZV 0.8771
140 FSB 0.8768
141 HGH 0.8760
142 DOI 0.8756
143 3BH 0.8754
144 XYP TRS XYP 0.8748
145 FGN 0.8746
146 5NB 0.8741
147 LRT 0.8737
148 M7G 0.8735
149 NYZ 0.8731
150 3RA 0.8725
151 MSS 0.8719
152 TXS 0.8712
153 8OD 0.8710
154 S1Z 0.8709
155 4ZK 0.8706
156 L0F 0.8706
157 IYX 0.8702
158 GOW 0.8702
159 EKH 0.8698
160 CQU 0.8694
161 KFS 0.8692
162 0NL 0.8691
163 T3P 0.8690
164 F2B 0.8690
165 4K9 0.8689
166 PWH 0.8686
167 CL9 0.8686
168 GQE 0.8681
169 P1S 0.8676
170 SNI 0.8676
171 9ST 0.8674
172 GAR 0.8673
173 566 0.8671
174 DGI 0.8669
175 9ME 0.8666
176 RVA 0.8664
177 H4H 0.8662
178 SBW 0.8659
179 9W8 0.8653
180 2HW 0.8653
181 BSB 0.8653
182 GNG 0.8644
183 TDI 0.8643
184 MDR 0.8641
185 6HW 0.8634
186 460 0.8634
187 T61 0.8631
188 C1Y 0.8627
189 HLN 0.8624
190 43H 0.8621
191 TYD 0.8615
192 IXE 0.8613
193 66P 0.8609
194 I0D 0.8609
195 MG7 0.8608
196 MHR 0.8608
197 JY5 0.8606
198 4UB 0.8600
199 CC2 0.8599
200 JZJ 0.8598
201 F13 0.8595
202 PDB 0.8588
203 517 0.8585
204 BHF 0.8579
205 IWH 0.8576
206 XYS AZI XYS 0.8571
207 9X0 0.8566
208 KKE 0.8563
209 9RK 0.8559
210 VAL TRP 0.8553
211 4F0 0.8553
212 IYZ 0.8549
213 FKJ 0.8547
214 361 0.8538
215 E44 0.8526
216 E3Y 0.8504
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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