Receptor
PDB id Resolution Class Description Source Keywords
5FEW 1.17 Å EC: 7.-.-.- HYDE FROM T. MARITIMA IN COMPLEX WITH S-ADENOSYL-L-CYSTEINE PRODUCT) THERMOTOGA MARITIMA RADICAL SAM ENZYME COMPLEX FEFE-HYDROGENASE MATURASE THAZOXIDOREDUCTASE
Ref.: CARBON-SULFUR BOND-FORMING REACTION CATALYSED BY TH SAM ENZYME HYDE. NAT.CHEM. V. 8 491 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
5X8 A:410;
 Valid;
 none;
 submit data
370.384 C13 H18 N6 O5 S c1nc(...
CPS A:404;
A:405;
A:406;
A:403;
A:402;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
614.877 C32 H58 N2 O7 S C[C@H...
CL A:408;
A:407;
 Invalid;
Invalid;
 none;
none;
 submit data
35.453 Cl [Cl-]
SAH A:411;
 Valid;
 none;
 submit data
384.411 C14 H20 N6 O5 S c1nc(...
41K A:412;
 Valid;
 none;
 submit data
191.205 C6 H9 N O4 S C[C@]...
MET A:409;
 Valid;
 none;
 submit data
149.211 C5 H11 N O2 S CSCC[...
SF4 A:401;
 Part of Protein;
 none;
 submit data
351.64 Fe4 S4 [S]12...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4JYD 1.71 Å EC: 7.-.-.- X-RAY SNAPSHOTS OF POSSIBLE INTERMEDIATES IN THE TIME COURSE SYNTHESIS AND DEGRADATION OF PROTEIN-BOUND FE4S4 CLUSTERS. THERMOTOGA MARITIMA RADICAL SAM PROTEIN FEFE-HYDROGENASE ACTIVE SITE ASSEMBLY CLUSTER S-ADENOSYL-L-METHIONINE OXIDOREDUCTASE
Ref.: X-RAY SNAPSHOTS OF POSSIBLE INTERMEDIATES IN THE TI OF SYNTHESIS AND DEGRADATION OF PROTEIN-BOUND FE4S4 CLUSTERS. PROC.NATL.ACAD.SCI.USA V. 110 7188 2013
Members (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 3CIW - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 4JYE - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 3CIX - SAH C14 H20 N6 O5 S c1nc(c2c(n....
4 5FEX - 5AD SEC n/a n/a
5 5FF3 - PRS C4 H7 N O2 S C1[C@H](NC....
6 5FEP - SAM C15 H22 N6 O5 S C[S@@+](CC....
7 3IIZ - SAM C15 H22 N6 O5 S C[S@@+](CC....
8 5FES - SAM C15 H22 N6 O5 S C[S@@+](CC....
9 5FF0 - 5X8 C13 H18 N6 O5 S c1nc(c2c(n....
10 4JXC - SAM C15 H22 N6 O5 S C[S@@+](CC....
11 4JY9 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
12 4JYF - SAH C14 H20 N6 O5 S c1nc(c2c(n....
13 5FF4 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
14 3IIX - MET C5 H11 N O2 S CSCC[C@@H]....
15 4JYD - SAH C14 H20 N6 O5 S c1nc(c2c(n....
16 5FEW - SAH C14 H20 N6 O5 S c1nc(c2c(n....
17 5FF2 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
18 5FEZ - 9SE C6 H9 N O4 Se C[C@]1(N[C....
70% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 271 families.
1 3CIW - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 4JYE - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 3CIX - SAH C14 H20 N6 O5 S c1nc(c2c(n....
4 5FEX - 5AD SEC n/a n/a
5 5FF3 - PRS C4 H7 N O2 S C1[C@H](NC....
6 5FEP - SAM C15 H22 N6 O5 S C[S@@+](CC....
7 3IIZ - SAM C15 H22 N6 O5 S C[S@@+](CC....
8 5FES - SAM C15 H22 N6 O5 S C[S@@+](CC....
9 5FF0 - 5X8 C13 H18 N6 O5 S c1nc(c2c(n....
10 4JXC - SAM C15 H22 N6 O5 S C[S@@+](CC....
11 4JY9 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
12 4JYF - SAH C14 H20 N6 O5 S c1nc(c2c(n....
13 5FF4 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
14 3IIX - MET C5 H11 N O2 S CSCC[C@@H]....
15 4JYD - SAH C14 H20 N6 O5 S c1nc(c2c(n....
16 5FEW - SAH C14 H20 N6 O5 S c1nc(c2c(n....
17 5FF2 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
18 5FEZ - 9SE C6 H9 N O4 Se C[C@]1(N[C....
50% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 223 families.
1 3CIW - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 4JYE - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 3CIX - SAH C14 H20 N6 O5 S c1nc(c2c(n....
4 5FEX - 5AD SEC n/a n/a
5 5FF3 - PRS C4 H7 N O2 S C1[C@H](NC....
6 5FEP - SAM C15 H22 N6 O5 S C[S@@+](CC....
7 3IIZ - SAM C15 H22 N6 O5 S C[S@@+](CC....
8 5FES - SAM C15 H22 N6 O5 S C[S@@+](CC....
9 5FF0 - 5X8 C13 H18 N6 O5 S c1nc(c2c(n....
10 4JXC - SAM C15 H22 N6 O5 S C[S@@+](CC....
11 4JY9 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
12 4JYF - SAH C14 H20 N6 O5 S c1nc(c2c(n....
13 5FF4 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
14 3IIX - MET C5 H11 N O2 S CSCC[C@@H]....
15 4JYD - SAH C14 H20 N6 O5 S c1nc(c2c(n....
16 5FEW - SAH C14 H20 N6 O5 S c1nc(c2c(n....
17 5FF2 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
18 5FEZ - 9SE C6 H9 N O4 Se C[C@]1(N[C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 5X8; Similar ligands found: 307
No: Ligand ECFP6 Tc MDL keys Tc
1 5X8 1 1
2 SAH 0.759494 0.969697
3 DTA 0.694444 0.855072
4 3DH 0.689189 0.895522
5 DSH 0.675325 0.885714
6 MTA 0.64 0.895522
7 A7D 0.634146 0.897059
8 ADN 0.619718 0.865672
9 RAB 0.619718 0.865672
10 XYA 0.619718 0.865672
11 SFG 0.619048 0.924242
12 SXZ 0.606383 0.888889
13 SA8 0.604651 0.887324
14 EEM 0.602273 0.863014
15 SAI 0.597701 0.926471
16 5CD 0.594595 0.878788
17 S7M 0.588889 0.888889
18 A 0.5875 0.783784
19 AMP 0.5875 0.783784
20 5N5 0.581081 0.865672
21 U4Y 0.578431 0.927536
22 A4D 0.573333 0.893939
23 SMM 0.571429 0.853333
24 SSA 0.571429 0.729412
25 S8M 0.569892 0.873239
26 K15 0.568421 0.851351
27 LMS 0.567901 0.710843
28 M2T 0.564103 0.84507
29 DSZ 0.56383 0.75
30 A5A 0.56044 0.714286
31 5CA 0.55914 0.729412
32 62X 0.557895 0.828947
33 SAM 0.555556 0.888889
34 EP4 0.551282 0.842857
35 A5D 0.550562 0.855072
36 KYE 0.55 0.84
37 54H 0.548387 0.697674
38 VMS 0.548387 0.697674
39 0UM 0.547368 0.849315
40 LSS 0.547368 0.712644
41 GSU 0.546392 0.75
42 KG4 0.545455 0.789474
43 G5A 0.544444 0.729412
44 53H 0.542553 0.689655
45 TSB 0.542553 0.705882
46 AMP MG 0.542169 0.794521
47 6RE 0.542169 0.821918
48 SON 0.54023 0.802632
49 SRP 0.537634 0.826667
50 CA0 0.534091 0.789474
51 ADX 0.534091 0.710843
52 AAT 0.532609 0.835616
53 5AL 0.532609 0.8
54 NWW 0.532468 0.830769
55 TT8 0.531915 0.941176
56 52H 0.531915 0.689655
57 AMO 0.53125 0.826667
58 KAA 0.530612 0.704545
59 J7C 0.529412 0.833333
60 A2D 0.529412 0.763158
61 ABM 0.529412 0.763158
62 45A 0.529412 0.763158
63 ADP 0.528736 0.763158
64 5AS 0.528736 0.670455
65 AHX 0.525773 0.772152
66 NVA LMS 0.525773 0.704545
67 SRA 0.52381 0.766234
68 S4M 0.523256 0.805195
69 GJV 0.523256 0.810811
70 A3S 0.522727 0.910448
71 AN2 0.522727 0.753247
72 8QN 0.520833 0.8
73 KB1 0.52 0.875
74 YSA 0.519608 0.729412
75 AOC 0.517647 0.867647
76 AP2 0.517241 0.75641
77 BA3 0.517241 0.763158
78 A12 0.517241 0.75641
79 V2G 0.516129 0.772152
80 NSS 0.515464 0.729412
81 ZAS 0.511905 0.830986
82 AP5 0.511364 0.763158
83 B4P 0.511364 0.763158
84 HEJ 0.511111 0.763158
85 50T 0.511111 0.753247
86 ATP 0.511111 0.763158
87 8X1 0.510417 0.704545
88 ME8 0.51 0.810127
89 ADP BEF 0.505618 0.783784
90 ADP MG 0.505618 0.783784
91 AT4 0.505618 0.75641
92 APC 0.505495 0.75641
93 5FA 0.505495 0.763158
94 AQP 0.505495 0.763158
95 GAP 0.505376 0.789474
96 8LH 0.505263 0.779221
97 GEK 0.505155 0.927536
98 A6D 0.50505 0.75641
99 M33 0.5 0.753247
100 HY8 0.5 0.863014
101 7D7 0.5 0.782609
102 LAD 0.5 0.78481
103 NEC 0.5 0.811594
104 KXW 0.5 0.887324
105 8LE 0.5 0.769231
106 WAQ 0.5 0.782051
107 MAO 0.5 0.772152
108 A3G 0.5 0.897059
109 AU1 0.5 0.74359
110 3AM 0.5 0.746667
111 HZ2 0.495327 0.863014
112 8PZ 0.495146 0.729412
113 NB8 0.49505 0.794872
114 PTJ 0.49505 0.75
115 TXA 0.49505 0.779221
116 QA7 0.494845 0.769231
117 DAL AMP 0.494845 0.8
118 D3Y 0.494845 0.884058
119 8LQ 0.494845 0.802632
120 A3T 0.494505 0.867647
121 ACP 0.494505 0.766234
122 A3N 0.494253 0.855072
123 7D5 0.493976 0.705128
124 OZP 0.490741 0.887324
125 XAH 0.490385 0.743902
126 9ZD 0.489796 0.759494
127 9ZA 0.489796 0.759494
128 25A 0.489796 0.763158
129 V47 0.489583 0.880597
130 TAT 0.489362 0.75641
131 T99 0.489362 0.75641
132 ACQ 0.489362 0.766234
133 AR6 0.48913 0.786667
134 PRX 0.48913 0.74359
135 APR 0.48913 0.786667
136 5AD 0.486842 0.815385
137 EU9 0.486239 0.8
138 KH3 0.485981 0.84
139 J4G 0.485149 0.815789
140 P5A 0.485149 0.696629
141 PAJ 0.484848 0.740741
142 4AD 0.484848 0.815789
143 ATP MG 0.483871 0.783784
144 APC MG 0.483871 0.763158
145 AGS 0.483871 0.746835
146 AD9 0.483871 0.74359
147 RBY 0.483871 0.779221
148 ADP PO3 0.483871 0.783784
149 ADV 0.483871 0.779221
150 A3P 0.483146 0.76
151 N5O 0.482759 0.855072
152 80F 0.482759 0.768293
153 Y3J 0.481013 0.791045
154 FA5 0.480769 0.826667
155 A22 0.479592 0.753247
156 BEF ADP 0.478723 0.763158
157 VRT 0.478723 0.859155
158 H1Q 0.478261 0.773333
159 2VA 0.478261 0.842857
160 F0P 0.477477 0.887324
161 7MD 0.476636 0.765432
162 LEU LMS 0.475248 0.741176
163 QXP 0.474747 0.714286
164 OOB 0.474747 0.8
165 6YZ 0.474227 0.766234
166 ANP 0.473684 0.74359
167 TAD 0.472222 0.7625
168 N5A 0.47191 0.852941
169 3NZ 0.470588 0.847222
170 NWQ 0.470588 0.80597
171 2AM 0.470588 0.736842
172 A1R 0.47 0.759494
173 HQG 0.469388 0.776316
174 N37 0.468468 0.871429
175 WSA 0.468468 0.738095
176 NVA 2AD 0.468085 0.847222
177 MHZ 0.467391 0.772152
178 A2P 0.466667 0.746667
179 00A 0.465347 0.759494
180 DLL 0.465347 0.8
181 KY2 0.464646 0.813333
182 Q2M 0.464286 0.888889
183 YLC 0.464286 0.765432
184 8Q2 0.464286 0.704545
185 Q34 0.464286 0.84
186 ANP MG 0.463918 0.753247
187 ALF ADP 0.463918 0.725
188 VO4 ADP 0.463918 0.74359
189 ATF 0.463918 0.734177
190 SO8 0.463158 0.830986
191 B1U 0.462264 0.652174
192 3UK 0.460784 0.789474
193 QXG 0.460784 0.705882
194 OAD 0.460784 0.789474
195 4YB 0.458716 0.732558
196 0XU 0.457447 0.895522
197 F2R 0.456897 0.746988
198 R2V 0.456311 0.714286
199 PR8 0.456311 0.775
200 B5V 0.456311 0.779221
201 IOT 0.45614 0.738095
202 KYB 0.455446 0.813333
203 A3R 0.455446 0.759494
204 ADQ 0.455446 0.766234
205 OVE 0.454545 0.730769
206 PPS 0.453608 0.690476
207 Q2V 0.452174 0.875
208 FYA 0.451923 0.8
209 BIS 0.451923 0.716049
210 1ZZ 0.451923 0.722892
211 3OD 0.451923 0.789474
212 9K8 0.451923 0.685393
213 JNT 0.45098 0.766234
214 48N 0.45045 0.772152
215 YLP 0.45045 0.746988
216 MAP 0.45 0.725
217 4UU 0.449541 0.769231
218 ARG AMP 0.449541 0.756098
219 25L 0.447619 0.753247
220 MYR AMP 0.447619 0.722892
221 ADP BMA 0.446602 0.766234
222 9X8 0.446602 0.769231
223 36A 0.446429 0.876712
224 OZV 0.445545 0.763158
225 5SV 0.445545 0.707317
226 4UV 0.444444 0.769231
227 9SN 0.443396 0.75
228 V3L 0.443299 0.786667
229 NX8 0.443299 0.847222
230 TYM 0.442478 0.826667
231 Q2P 0.440678 0.84
232 7D3 0.43956 0.6875
233 B5M 0.439252 0.769231
234 K3K 0.439252 0.819444
235 B5Y 0.439252 0.769231
236 7MC 0.438596 0.746988
237 YLB 0.438596 0.746988
238 JB6 0.438095 0.759494
239 PAP 0.4375 0.75
240 DQV 0.432432 0.776316
241 AMP DBH 0.431193 0.766234
242 KL2 0.430233 0.710526
243 K38 0.429907 0.819444
244 649 0.429825 0.696629
245 OMR 0.429825 0.714286
246 LAQ 0.428571 0.743902
247 YLA 0.42735 0.746988
248 7C5 0.427273 0.810811
249 2A5 0.427083 0.721519
250 ACK 0.426966 0.72973
251 QQY 0.426966 0.714286
252 L3W 0.426087 0.75641
253 ATP A A A 0.425926 0.773333
254 ATP A 0.425926 0.773333
255 KMQ 0.425926 0.75641
256 CC5 0.425 0.892308
257 KOY 0.424779 0.84507
258 LPA AMP 0.424779 0.743902
259 AYB 0.423729 0.738095
260 ATR 0.42268 0.736842
261 K3H 0.422018 0.786667
262 K2W 0.422018 0.824324
263 MTP 0.421687 0.767123
264 3L1 0.421687 0.84058
265 3AD 0.421687 0.878788
266 3D1 0.421687 0.84058
267 7D4 0.421053 0.6875
268 NAI 0.421053 0.7375
269 DND 0.421053 0.779221
270 4UW 0.421053 0.740741
271 TXD 0.421053 0.759494
272 NAX 0.421053 0.753086
273 K3E 0.418182 0.808219
274 AF3 ADP 3PG 0.417391 0.7625
275 ALF ADP 3PG 0.417391 0.7625
276 TXE 0.417391 0.7375
277 AHZ 0.415929 0.743902
278 QQX 0.41573 0.705128
279 NWZ 0.412371 0.833333
280 A2R 0.411765 0.776316
281 SP1 0.411111 0.74026
282 RP1 0.411111 0.74026
283 AR6 AR6 0.410714 0.786667
284 AFH 0.410714 0.740741
285 GA7 0.410714 0.75641
286 K2H 0.409524 0.819444
287 6V0 0.408696 0.728395
288 KY5 0.407407 0.859155
289 101 0.406593 0.727273
290 SLU 0.406504 0.681818
291 2SA 0.405941 0.802632
292 2BA 0.404255 0.756757
293 CMP 0.404255 0.767123
294 J1A 0.403226 0.797468
295 DA 0.402174 0.75
296 D5M 0.402174 0.75
297 KY8 0.401869 0.835616
298 K2K 0.401869 0.847222
299 G3A 0.401786 0.728395
300 NAD TDB 0.401709 0.786667
301 AP0 0.401709 0.707317
302 NAD IBO 0.401709 0.786667
303 N0B 0.401575 0.746988
304 2FA 0.4 0.805556
305 CNA 0.4 0.779221
306 26A 0.4 0.802817
307 YLY 0.4 0.738095
Ligand no: 2; Ligand: SAH; Similar ligands found: 256
No: Ligand ECFP6 Tc MDL keys Tc
1 SAH 1 1
2 5X8 0.759494 0.969697
3 A7D 0.734177 0.926471
4 TT8 0.709302 0.970588
5 DSH 0.692308 0.914286
6 SXZ 0.692308 0.916667
7 DTA 0.666667 0.857143
8 3DH 0.662338 0.869565
9 S8M 0.655556 0.901408
10 U4Y 0.64 0.956522
11 SFG 0.635294 0.954545
12 SA8 0.62069 0.915493
13 EEM 0.617977 0.890411
14 MTA 0.615385 0.869565
15 SAI 0.613636 0.955882
16 S7M 0.586957 0.916667
17 36A 0.586538 0.90411
18 K15 0.583333 0.878378
19 ADN 0.573333 0.84058
20 RAB 0.573333 0.84058
21 XYA 0.573333 0.84058
22 62X 0.572917 0.855263
23 5CD 0.571429 0.852941
24 0UM 0.5625 0.876712
25 5N5 0.558442 0.84058
26 A4D 0.551282 0.867647
27 KYE 0.54902 0.866667
28 SAM 0.537634 0.916667
29 SSA 0.536842 0.712644
30 SMM 0.536842 0.88
31 KB1 0.534653 0.902778
32 A5D 0.532609 0.857143
33 SIB 0.53125 0.928571
34 EP4 0.530864 0.819444
35 DSZ 0.530612 0.732558
36 GSU 0.53 0.752941
37 LMS 0.529412 0.694118
38 AMP 0.529412 0.763158
39 A 0.529412 0.763158
40 5CA 0.525773 0.712644
41 ME8 0.524752 0.8125
42 M2T 0.52439 0.821918
43 6RE 0.523256 0.824324
44 GJV 0.522727 0.813333
45 OZP 0.518519 0.915493
46 AAT 0.515789 0.863014
47 LSS 0.515152 0.696629
48 KAA 0.514852 0.727273
49 KXW 0.514019 0.915493
50 NWW 0.5125 0.80597
51 J7C 0.511364 0.835616
52 KG4 0.51087 0.769231
53 A5A 0.510417 0.697674
54 AMP MG 0.505747 0.773333
55 SON 0.505495 0.805195
56 SRP 0.505155 0.805195
57 F0P 0.504505 0.915493
58 KH3 0.5 0.866667
59 HY8 0.5 0.890411
60 CA0 0.5 0.769231
61 AMO 0.5 0.805195
62 54H 0.5 0.681818
63 ADX 0.5 0.694118
64 5AL 0.5 0.779221
65 VMS 0.5 0.681818
66 N37 0.495495 0.9
67 HZ2 0.495413 0.890411
68 NVA LMS 0.49505 0.707865
69 AHX 0.49505 0.753086
70 TSB 0.494949 0.689655
71 53H 0.494949 0.674157
72 G5A 0.494737 0.712644
73 45A 0.494382 0.74359
74 ABM 0.494382 0.74359
75 A2D 0.494382 0.74359
76 ZAS 0.494253 0.808219
77 A6D 0.490196 0.759494
78 GEK 0.49 0.956522
79 8QN 0.49 0.779221
80 GAP 0.489583 0.769231
81 A3S 0.48913 0.884058
82 AN2 0.48913 0.734177
83 S4M 0.488889 0.831169
84 SRA 0.488636 0.746835
85 EU9 0.486486 0.825
86 LAD 0.485437 0.810127
87 52H 0.484848 0.674157
88 V2G 0.484536 0.753086
89 BA3 0.483516 0.74359
90 AP2 0.483516 0.759494
91 A12 0.483516 0.759494
92 AOC 0.483146 0.842857
93 NEC 0.483146 0.788732
94 Y3J 0.481481 0.768116
95 VRT 0.479167 0.861111
96 50T 0.478723 0.734177
97 AP5 0.478261 0.74359
98 ADP 0.478261 0.74359
99 5AS 0.478261 0.655556
100 B4P 0.478261 0.74359
101 Q34 0.477876 0.866667
102 Q2M 0.477876 0.916667
103 A3N 0.477778 0.830986
104 YSA 0.476636 0.712644
105 XAH 0.476636 0.768293
106 8LH 0.474747 0.759494
107 V47 0.474747 0.882353
108 0XU 0.473684 0.897059
109 AT4 0.473118 0.7375
110 ADP MG 0.473118 0.763158
111 ADP BEF 0.473118 0.763158
112 J4G 0.471154 0.818182
113 WAQ 0.471154 0.807692
114 NSS 0.470588 0.712644
115 8LE 0.469388 0.75
116 5AD 0.468354 0.791045
117 AU1 0.468085 0.725
118 M33 0.468085 0.734177
119 MAO 0.467391 0.797468
120 NB8 0.466667 0.775
121 A3G 0.466667 0.871429
122 N5O 0.466667 0.857143
123 TXA 0.466667 0.759494
124 3AM 0.465909 0.727273
125 Q2V 0.465517 0.902778
126 QA7 0.465347 0.75
127 8X1 0.465347 0.707865
128 DAL AMP 0.465347 0.779221
129 8LQ 0.465347 0.782051
130 A3T 0.463158 0.842857
131 ATP 0.463158 0.74359
132 ACP 0.463158 0.746835
133 HEJ 0.463158 0.74359
134 7D7 0.4625 0.785714
135 QXP 0.460784 0.697674
136 9ZA 0.460784 0.740741
137 9ZD 0.460784 0.740741
138 APR 0.458333 0.766234
139 5FA 0.458333 0.74359
140 PRX 0.458333 0.746835
141 APC 0.458333 0.759494
142 AQP 0.458333 0.74359
143 AR6 0.458333 0.766234
144 F2R 0.457627 0.75
145 R2V 0.457143 0.697674
146 IOT 0.456897 0.761905
147 N5A 0.456522 0.855072
148 PAJ 0.456311 0.722892
149 4AD 0.456311 0.794872
150 WSA 0.45614 0.72093
151 HQG 0.455446 0.75641
152 NWQ 0.454545 0.782609
153 Q2P 0.453782 0.866667
154 8PZ 0.453704 0.712644
155 FA5 0.453704 0.805195
156 AGS 0.453608 0.728395
157 APC MG 0.453608 0.766234
158 RBY 0.453608 0.782051
159 ATP MG 0.453608 0.763158
160 AD9 0.453608 0.725
161 ADV 0.453608 0.782051
162 NVA 2AD 0.453608 0.849315
163 ADP PO3 0.453608 0.763158
164 PTJ 0.45283 0.731707
165 MHZ 0.452632 0.797468
166 00A 0.451923 0.740741
167 A3P 0.451613 0.74026
168 YLP 0.451327 0.771084
169 7MD 0.45045 0.768293
170 ALF ADP 0.45 0.707317
171 BEF ADP 0.44898 0.74359
172 2VA 0.447917 0.819444
173 H1Q 0.447917 0.753247
174 LEU LMS 0.447619 0.724138
175 QXG 0.447619 0.689655
176 OOB 0.446602 0.779221
177 ACQ 0.444444 0.746835
178 T99 0.444444 0.7375
179 TAT 0.444444 0.7375
180 ANP 0.444444 0.725
181 P5A 0.443396 0.719101
182 7D5 0.443182 0.708861
183 A1R 0.442308 0.7625
184 YLC 0.439655 0.790123
185 2AM 0.438202 0.717949
186 DLL 0.438095 0.779221
187 ARG AMP 0.4375 0.759036
188 KY2 0.436893 0.84
189 D3Y 0.436893 0.859155
190 A22 0.436893 0.734177
191 ANP MG 0.435644 0.734177
192 VO4 ADP 0.435644 0.725
193 ATF 0.435644 0.716049
194 MYR AMP 0.435185 0.746988
195 80F 0.434426 0.75
196 SO8 0.434343 0.808219
197 OAD 0.433962 0.769231
198 3UK 0.433962 0.769231
199 TAD 0.433628 0.765432
200 25A 0.432692 0.74359
201 6YZ 0.431373 0.746835
202 9SN 0.431193 0.731707
203 TYM 0.431034 0.805195
204 PR8 0.429907 0.8
205 B5V 0.429907 0.759494
206 KYB 0.428571 0.84
207 ADQ 0.428571 0.746835
208 YLB 0.42735 0.771084
209 1ZZ 0.425926 0.746988
210 9K8 0.425926 0.67033
211 3OD 0.425926 0.769231
212 FYA 0.425926 0.779221
213 PPS 0.425743 0.674419
214 JNT 0.424528 0.746835
215 B1U 0.423423 0.638298
216 MAP 0.423077 0.707317
217 4YB 0.421053 0.735632
218 A2P 0.421053 0.727273
219 9X8 0.420561 0.75
220 ADP BMA 0.420561 0.746835
221 OZV 0.419048 0.74359
222 5SV 0.419048 0.731707
223 YLA 0.416667 0.771084
224 3NZ 0.416667 0.824324
225 NX8 0.415842 0.875
226 KL2 0.41573 0.692308
227 8Q2 0.415254 0.688889
228 A3R 0.415094 0.7625
229 B5M 0.414414 0.75
230 B5Y 0.414414 0.75
231 LPA AMP 0.413793 0.768293
232 48N 0.413793 0.753086
233 AYB 0.413223 0.761905
234 ACK 0.413043 0.710526
235 QQY 0.413043 0.696203
236 JB6 0.412844 0.7625
237 BIS 0.412844 0.719512
238 K2H 0.411215 0.797297
239 PAP 0.41 0.730769
240 KY5 0.409091 0.887324
241 DQV 0.408696 0.75641
242 OVE 0.408602 0.7125
243 4UV 0.40708 0.75
244 AMP DBH 0.40708 0.746835
245 3AD 0.406977 0.852941
246 OMR 0.40678 0.738095
247 AF3 ADP 3PG 0.40678 0.743902
248 K38 0.405405 0.797297
249 LAQ 0.405172 0.768293
250 K2K 0.40367 0.875
251 7C5 0.403509 0.789474
252 7MC 0.403361 0.75
253 K3K 0.401786 0.797297
254 KOY 0.401709 0.847222
255 NWZ 0.4 0.861111
256 4UU 0.4 0.75
Ligand no: 3; Ligand: 41K; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 41K 1 1
2 5ZZ 0.4 0.731707
Ligand no: 4; Ligand: MET; Similar ligands found: 33
No: Ligand ECFP6 Tc MDL keys Tc
1 MED 1 1
2 MET 1 1
3 DBB 0.518519 0.655172
4 ABA 0.518519 0.655172
5 2FM 0.514286 0.666667
6 MF3 0.5 0.647059
7 NVA 0.5 0.758621
8 B3M 0.472222 0.8125
9 HSE 0.466667 0.617647
10 DAB 0.466667 0.636364
11 MHO 0.457143 0.717949
12 SME 0.457143 0.717949
13 HCS 0.451613 0.733333
14 API 0.451613 0.606061
15 CDT 0.447368 0.756757
16 2MM 0.444444 0.657143
17 NLE 0.441176 0.766667
18 ONL 0.441176 0.71875
19 UN1 0.428571 0.606061
20 11C 0.428571 0.606061
21 MSE 0.428571 0.9
22 GLU 0.424242 0.625
23 GGL 0.424242 0.625
24 DGL 0.424242 0.625
25 CBH 0.418605 0.685714
26 ORN 0.411765 0.65625
27 AME 0.410256 0.771429
28 FME 0.410256 0.84375
29 LEU 0.40625 0.666667
30 CYS 0.4 0.666667
31 DCY 0.4 0.666667
32 C2N 0.4 0.633333
33 JM6 0.4 0.7
Similar Ligands (3D)
Ligand no: 1; Ligand: 5X8; Similar ligands found: 1
No: Ligand Similarity coefficient
1 5AD SEC 0.9968
Ligand no: 2; Ligand: SAH; Similar ligands found: 15
No: Ligand Similarity coefficient
1 HCE 0.9148
2 GMD 0.9105
3 IDP 0.8930
4 GDP 0.8927
5 2EL 0.8907
6 GDP MG 0.8895
7 CUU 0.8893
8 BIG 0.8840
9 M7G 0.8830
10 DAT 0.8738
11 UC5 0.8671
12 4CT 0.8669
13 DTP 0.8653
14 GNH 0.8616
15 OS3 0.8593
Ligand no: 3; Ligand: 41K; Similar ligands found: 455
No: Ligand Similarity coefficient
1 9SE 0.9989
2 5XB 0.9676
3 APG 0.9498
4 GLU 0.9328
5 R9S 0.9320
6 3LR 0.9313
7 8GL 0.9309
8 2FT 0.9303
9 ALA ALA 0.9287
10 OGA 0.9252
11 7UC 0.9236
12 SYM 0.9234
13 GRO 0.9200
14 KDG 0.9195
15 ICB 0.9186
16 HIS 0.9180
17 FK8 0.9180
18 DAL DAL 0.9179
19 KMH 0.9179
20 DHS 0.9177
21 6JN 0.9175
22 0OC 0.9168
23 TRC 0.9163
24 GLN 0.9161
25 8EW 0.9158
26 AKG 0.9157
27 URQ 0.9151
28 SMN 0.9141
29 GGL 0.9135
30 DGL 0.9132
31 KDF 0.9129
32 9RW 0.9121
33 FOC 0.9109
34 2HG 0.9107
35 DZA 0.9100
36 XYH 0.9097
37 M5E 0.9095
38 OMD 0.9086
39 DGN 0.9081
40 TLA 0.9080
41 9ON 0.9079
42 CIT 0.9076
43 SKG 0.9072
44 40F 0.9067
45 HA7 0.9066
46 RAT 0.9064
47 TPO 0.9063
48 2IT 0.9061
49 PEQ 0.9056
50 173 0.9053
51 SOR 0.9049
52 3CR 0.9045
53 LFC 0.9045
54 K6H 0.9044
55 SEP 0.9044
56 PEP 0.9040
57 T9G 0.9037
58 XYS 0.9035
59 4HP 0.9030
60 152 0.9024
61 3HG 0.9024
62 MUC 0.9019
63 3PG 0.9016
64 091 0.9016
65 AL0 0.9014
66 PHE 0.9009
67 MTL 0.9007
68 N8P 0.9007
69 GCO 0.9005
70 DIR 0.8997
71 DGJ 0.8995
72 AHN 0.8995
73 GAE 0.8992
74 CUW 0.8992
75 GLR 0.8991
76 8OZ 0.8988
77 TSR 0.8987
78 92K 0.8983
79 DXG 0.8981
80 3BU 0.8979
81 GZQ 0.8978
82 AFS 0.8976
83 RNS 0.8975
84 6NT 0.8973
85 SD4 0.8972
86 TAR 0.8970
87 A29 0.8969
88 C5A 0.8967
89 FLC 0.8966
90 ZGL 0.8963
91 4TB 0.8961
92 RMN 0.8961
93 1L5 0.8957
94 GVM 0.8956
95 AOS 0.8956
96 HIO 0.8955
97 CS2 0.8950
98 TIU 0.8950
99 J0Z 0.8948
100 3NY 0.8948
101 FIX 0.8937
102 PD2 0.8937
103 PDC 0.8934
104 FUD 0.8933
105 GOJ 0.8932
106 HHH 0.8932
107 SOL 0.8931
108 ICT 0.8931
109 HQ9 0.8926
110 LLH 0.8922
111 OSE 0.8921
112 SRT 0.8917
113 XYL 0.8915
114 3SL 0.8913
115 CGB 0.8908
116 IXW 0.8906
117 ROR 0.8905
118 3YP 0.8905
119 XXP 0.8903
120 NCT 0.8903
121 LNR 0.8903
122 CAX 0.8902
123 K7M 0.8902
124 S7A 0.8902
125 S2P 0.8901
126 GLA 0.8901
127 61M 0.8900
128 9RH 0.8900
129 G8M 0.8899
130 NLG 0.8898
131 5FX 0.8898
132 4P0 0.8898
133 HL5 0.8897
134 DHI 0.8895
135 M6H 0.8895
136 DEW 0.8894
137 2ZM 0.8894
138 LPK 0.8894
139 GLO 0.8894
140 SDD 0.8891
141 5NI 0.8891
142 7C3 0.8891
143 23J 0.8890
144 449 0.8890
145 KTA 0.8888
146 XLS 0.8886
147 CXP 0.8884
148 DMV 0.8882
149 HL4 0.8878
150 EHM 0.8878
151 XUL 0.8878
152 S2G 0.8877
153 56D 0.8877
154 2AS 0.8877
155 KDO 0.8874
156 FA3 0.8874
157 AH8 0.8871
158 YZM 0.8868
159 51R 0.8867
160 LYS 0.8866
161 DII 0.8865
162 0HN 0.8865
163 GZ3 0.8865
164 PSJ 0.8863
165 2BX 0.8861
166 6NI 0.8861
167 1F1 0.8859
168 REL 0.8858
169 RBL 0.8858
170 PAC 0.8858
171 K6V 0.8855
172 7A3 0.8852
173 2AL 0.8852
174 GXL 0.8850
175 4PN 0.8850
176 9J3 0.8847
177 ACH 0.8846
178 DHY 0.8846
179 SYC 0.8844
180 AOT 0.8843
181 6M4 0.8843
182 HDL 0.8842
183 DYT 0.8840
184 4NC 0.8840
185 PFL 0.8839
186 FF3 0.8837
187 P58 0.8836
188 NCD 0.8834
189 JAW 0.8832
190 0HO 0.8832
191 5OB 0.8832
192 GCS 0.8832
193 HCI 0.8831
194 O45 0.8830
195 HBU 0.8829
196 PPY 0.8828
197 ONL 0.8827
198 MLT 0.8827
199 ODO 0.8825
200 GLY GLY 0.8824
201 LFR 0.8823
202 TYE 0.8823
203 MXN 0.8823
204 M44 0.8822
205 ABI 0.8822
206 DLY 0.8822
207 R2P 0.8820
208 Q07 0.8819
209 TCA 0.8819
210 GAL 0.8819
211 RUJ 0.8818
212 HYA 0.8818
213 PAF 0.8816
214 HNL 0.8815
215 SHI 0.8814
216 OAA 0.8814
217 SNE 0.8814
218 FEH 0.8811
219 HDH 0.8811
220 1SV 0.8811
221 BZ3 0.8810
222 HHI 0.8810
223 ORN 0.8810
224 3MF 0.8810
225 TYL 0.8809
226 4WK 0.8807
227 OOG 0.8806
228 3V4 0.8806
229 ICO 0.8805
230 149 0.8799
231 E4P 0.8798
232 2H5 0.8798
233 R67 0.8798
234 Q9Z 0.8797
235 TIH 0.8796
236 GLC 0.8795
237 OTR 0.8792
238 WOO 0.8792
239 GAF 0.8791
240 J9Q 0.8790
241 98J 0.8790
242 MR1 0.8788
243 GBN 0.8788
244 HG3 0.8788
245 TZM 0.8784
246 ASP 0.8784
247 I1E 0.8781
248 ARB 0.8781
249 5HY 0.8781
250 HNK 0.8780
251 RB0 0.8780
252 RB5 0.8780
253 IAC 0.8779
254 1AL 0.8776
255 RBJ 0.8771
256 X6X 0.8771
257 MES 0.8771
258 3S5 0.8768
259 15N 0.8768
260 FA1 0.8767
261 1BN 0.8767
262 PPR 0.8766
263 52C 0.8766
264 2HU 0.8765
265 X1R 0.8764
266 DOB 0.8764
267 HC4 0.8763
268 JDN 0.8762
269 1WC 0.8761
270 ASN 0.8761
271 N2Z 0.8760
272 Q06 0.8760
273 ASC 0.8758
274 MET 0.8758
275 0V5 0.8758
276 BMA 0.8757
277 PMF 0.8757
278 AEG 0.8757
279 BHU 0.8757
280 A3M 0.8756
281 OVM 0.8756
282 JF6 0.8755
283 AMQ 0.8755
284 3A9 0.8754
285 ICF 0.8752
286 Q03 0.8748
287 TAG 0.8747
288 QY9 0.8747
289 3QM 0.8746
290 SPV 0.8745
291 46P 0.8742
292 3C4 0.8740
293 N7P 0.8739
294 HZP 0.8739
295 GUA 0.8738
296 PC 0.8736
297 URO 0.8735
298 XRG 0.8735
299 I4B 0.8734
300 3MB 0.8734
301 G4D 0.8732
302 LX1 0.8731
303 SC2 0.8731
304 7WG 0.8731
305 NDH 0.8731
306 PIM 0.8730
307 3QO 0.8727
308 3AL 0.8727
309 6FZ 0.8727
310 S8V 0.8726
311 5RN 0.8726
312 OEM 0.8724
313 C2Y 0.8723
314 GVG 0.8723
315 MZT 0.8722
316 PHU 0.8721
317 NVU 0.8721
318 AT3 0.8720
319 RUY 0.8719
320 LMR 0.8719
321 ARW 0.8718
322 UN1 0.8718
323 HGA 0.8716
324 OW4 0.8714
325 0QW 0.8712
326 8G0 0.8711
327 LDP 0.8708
328 3OC 0.8707
329 BGC 0.8705
330 4AV 0.8705
331 7A2 0.8704
332 CFA 0.8704
333 E5X 0.8702
334 VNL 0.8701
335 FBM 0.8701
336 E0O 0.8700
337 5WZ 0.8698
338 0JD 0.8698
339 6LW 0.8697
340 ISZ 0.8696
341 MNP 0.8695
342 XX3 0.8695
343 MEQ 0.8692
344 CTS 0.8691
345 MEV 0.8690
346 B40 0.8690
347 HPP 0.8688
348 2PG 0.8687
349 QUS 0.8687
350 86L 0.8686
351 HFA 0.8685
352 NIZ 0.8684
353 HHA 0.8684
354 B85 0.8683
355 ARG 0.8682
356 OW7 0.8682
357 JB8 0.8680
358 BDF 0.8680
359 SHA 0.8678
360 HSO 0.8678
361 4RW 0.8678
362 AMH 0.8676
363 CLT 0.8674
364 BHO 0.8674
365 PSV 0.8674
366 13P 0.8672
367 MSR 0.8672
368 SKM 0.8671
369 IF7 0.8671
370 IVL 0.8670
371 PGH 0.8670
372 8U3 0.8669
373 5XC 0.8669
374 MNM 0.8668
375 DPN 0.8667
376 HHT 0.8665
377 K34 0.8664
378 BNL 0.8664
379 1X4 0.8664
380 PGA 0.8663
381 M4T 0.8661
382 BNF 0.8661
383 AHB 0.8660
384 4CS 0.8659
385 8WQ 0.8659
386 NLE 0.8659
387 GLF 0.8659
388 M74 0.8659
389 069 0.8658
390 TEO 0.8657
391 4M0 0.8654
392 G3P 0.8653
393 HPS 0.8653
394 3R9 0.8652
395 JRB 0.8651
396 4P5 0.8651
397 TSS 0.8648
398 7N0 0.8647
399 XDK 0.8647
400 M45 0.8646
401 GLY GLY GLY 0.8643
402 I2M 0.8642
403 5CU 0.8640
404 CWJ 0.8639
405 AG2 0.8639
406 DQA 0.8638
407 Q02 0.8637
408 F31 0.8637
409 6TZ 0.8634
410 FA0 0.8634
411 2UB 0.8633
412 MFU 0.8633
413 DNF 0.8630
414 EDR 0.8630
415 MAJ 0.8627
416 HNH 0.8626
417 ILE 0.8622
418 FOM 0.8620
419 DAS 0.8619
420 KOJ 0.8617
421 PH3 0.8616
422 264 0.8616
423 SF6 0.8613
424 B2Y 0.8613
425 URS 0.8613
426 IPB 0.8612
427 G3H 0.8607
428 L13 0.8606
429 BHA 0.8600
430 NYL 0.8597
431 ACA 0.8597
432 97T 0.8596
433 3PO 0.8594
434 0F9 0.8594
435 54Z 0.8593
436 OEG 0.8593
437 GWM 0.8589
438 NFA 0.8581
439 X1S 0.8580
440 SPA 0.8579
441 1SA 0.8574
442 EYV 0.8572
443 92P 0.8567
444 BRH 0.8565
445 4JT 0.8562
446 RP5 0.8562
447 LNO 0.8562
448 YRL 0.8560
449 NM2 0.8557
450 EOL 0.8549
451 94W 0.8547
452 AMG 0.8538
453 COI 0.8536
454 9FE 0.8525
455 NM3 0.8511
Ligand no: 4; Ligand: MET; Similar ligands found: 868
No: Ligand Similarity coefficient
1 AKG 1.0000
2 2CO 0.9906
3 KMT 0.9826
4 MPJ 0.9772
5 LYN 0.9729
6 ONH 0.9693
7 LYS 0.9645
8 DLY 0.9610
9 9ON 0.9607
10 OGA 0.9594
11 CSS 0.9592
12 S2G 0.9571
13 7C3 0.9555
14 2IT 0.9546
15 GLN 0.9528
16 SLZ 0.9527
17 ASP 0.9523
18 HTX 0.9512
19 KQY 0.9511
20 SKJ 0.9499
21 ACA 0.9485
22 HL5 0.9482
23 69O 0.9480
24 DAV 0.9461
25 SHV 0.9458
26 NWH 0.9450
27 LMR 0.9448
28 9X7 0.9448
29 MLT 0.9446
30 6XA 0.9425
31 6NA 0.9424
32 ILE 0.9417
33 AL0 0.9416
34 2HG 0.9410
35 N6C 0.9404
36 HPN 0.9394
37 VAH 0.9387
38 PEL 0.9385
39 ASN 0.9383
40 MPH 0.9372
41 DHR 0.9370
42 LT1 0.9353
43 MD0 0.9345
44 258 0.9342
45 N4B 0.9338
46 NLP 0.9337
47 CXF 0.9326
48 264 0.9324
49 AG2 0.9324
50 8SZ 0.9321
51 49F 0.9320
52 THE 0.9320
53 URQ 0.9318
54 1KA 0.9317
55 5XA 0.9315
56 VKC 0.9314
57 268 0.9314
58 OAA 0.9312
59 UGC 0.9306
60 COI 0.9305
61 CEE 0.9305
62 TLA 0.9303
63 16D 0.9303
64 SGL 0.9302
65 FP1 0.9301
66 SHO 0.9294
67 CUW 0.9292
68 9YL 0.9289
69 OCT 0.9289
70 BNF 0.9289
71 NYL 0.9288
72 PG0 0.9287
73 YRL 0.9285
74 PRA 0.9284
75 BHH 0.9281
76 DGN 0.9279
77 SKG 0.9272
78 TZE 0.9272
79 FAN 0.9271
80 TAR 0.9268
81 2FT 0.9267
82 SD4 0.9264
83 98J 0.9263
84 I38 0.9260
85 GUA 0.9258
86 ITN 0.9253
87 3OL 0.9252
88 3OM 0.9252
89 717 0.9249
90 ZBT 0.9245
91 4JM 0.9245
92 HSM 0.9241
93 ZGL 0.9237
94 GOJ 0.9235
95 0VT 0.9231
96 PEA 0.9228
97 PG3 0.9228
98 O45 0.9222
99 2EH 0.9221
100 DIR 0.9219
101 SRT 0.9215
102 8GL 0.9215
103 HGA 0.9215
104 HE4 0.9215
105 JZ7 0.9213
106 40E 0.9209
107 Z82 0.9209
108 261 0.9205
109 GLY ALA 0.9197
110 PNZ 0.9195
111 CRN 0.9193
112 7OD 0.9190
113 I1E 0.9188
114 MSL 0.9187
115 9YT 0.9186
116 AEF 0.9184
117 DYA 0.9184
118 2RH 0.9184
119 NMH 0.9184
120 GLY GLY 0.9183
121 NTU 0.9182
122 DE5 0.9181
123 4SD 0.9176
124 AHB 0.9173
125 HY1 0.9171
126 DAL DAL 0.9170
127 HC4 0.9170
128 NIZ 0.9170
129 PAC 0.9169
130 1SP 0.9166
131 BSX 0.9165
132 ISZ 0.9162
133 JYD 0.9161
134 JFJ 0.9157
135 PHB 0.9154
136 AJ3 0.9153
137 MLE 0.9152
138 VAL 0.9150
139 FBM 0.9150
140 51F 0.9149
141 GJZ 0.9147
142 FQI 0.9146
143 BHL 0.9144
144 271 0.9143
145 HZP 0.9139
146 NPO 0.9137
147 SEP 0.9135
148 1DU 0.9134
149 SYM 0.9134
150 M3P 0.9134
151 TZL 0.9131
152 NF3 0.9130
153 LER 0.9128
154 2BG 0.9127
155 A8C 0.9126
156 LEA 0.9124
157 2AS 0.9123
158 XYL 0.9122
159 FEH 0.9121
160 MXN 0.9121
161 5XC 0.9115
162 PAB 0.9115
163 LDP 0.9113
164 RBL 0.9112
165 S8V 0.9111
166 HYA 0.9110
167 4FA 0.9108
168 JZ4 0.9108
169 4MA 0.9108
170 2LP 0.9107
171 AMH 0.9107
172 RBJ 0.9106
173 URP 0.9105
174 UY7 0.9103
175 MHN 0.9102
176 LNO 0.9101
177 PEP 0.9098
178 YIV 0.9097
179 IXW 0.9097
180 R67 0.9096
181 FOC 0.9094
182 TEO 0.9091
183 3PG 0.9088
184 M4T 0.9088
185 PHU 0.9086
186 PBZ 0.9083
187 URO 0.9080
188 4XR 0.9080
189 ALO 0.9079
190 54D 0.9077
191 AC6 0.9076
192 3SS 0.9076
193 HPV 0.9075
194 SIN 0.9075
195 G3P 0.9075
196 9J3 0.9074
197 DPF 0.9074
198 BHO 0.9073
199 XBT 0.9073
200 RUJ 0.9071
201 Q07 0.9071
202 RB5 0.9071
203 BZ3 0.9071
204 HBA 0.9069
205 SYN 0.9068
206 ABU 0.9068
207 2PG 0.9068
208 PRY 0.9067
209 CFI 0.9065
210 1DJ 0.9064
211 XUL 0.9063
212 PEQ 0.9062
213 HSO 0.9061
214 BPW 0.9059
215 GZ3 0.9059
216 MNN 0.9058
217 QY9 0.9057
218 MZW 0.9057
219 MLZ 0.9054
220 NXA 0.9053
221 XLS 0.9051
222 MRY 0.9050
223 5OB 0.9050
224 KDG 0.9049
225 OPE 0.9048
226 KMH 0.9047
227 SSB 0.9046
228 AMC 0.9046
229 FUM 0.9045
230 OSE 0.9044
231 DHB 0.9042
232 R2B 0.9042
233 PZI 0.9041
234 3LR 0.9040
235 HL4 0.9039
236 TPA 0.9038
237 XM0 0.9038
238 DGJ 0.9037
239 7BC 0.9036
240 BEZ 0.9036
241 HDH 0.9034
242 DAS 0.9032
243 BEN 0.9032
244 NSD 0.9031
245 6JN 0.9030
246 0V5 0.9028
247 H95 0.9028
248 OKG 0.9025
249 SPV 0.9024
250 OEG 0.9023
251 OK7 0.9022
252 KOJ 0.9021
253 5FX 0.9020
254 THR 0.9020
255 9X6 0.9019
256 4MV 0.9017
257 WTZ 0.9016
258 ALA ALA 0.9016
259 AE3 0.9016
260 O8Y 0.9013
261 7UC 0.9013
262 MEQ 0.9011
263 PBN 0.9010
264 7A8 0.9010
265 259 0.9010
266 AKB 0.9007
267 LDU 0.9007
268 XRG 0.9006
269 DZA 0.9006
270 FK8 0.9005
271 HX3 0.9005
272 T9G 0.9002
273 QDK 0.9002
274 HP6 0.9000
275 DQY 0.9000
276 PO6 0.8998
277 K6V 0.8997
278 4NM 0.8997
279 IFL 0.8996
280 NOJ 0.8996
281 HE2 0.8995
282 E5X 0.8995
283 13P 0.8992
284 URS 0.8989
285 PBC 0.8988
286 BPN 0.8986
287 AHR 0.8986
288 ROR 0.8986
289 NMG 0.8985
290 FBJ 0.8985
291 1Y6 0.8984
292 PGA 0.8984
293 A20 0.8984
294 TYL 0.8983
295 PPR 0.8982
296 I4B 0.8981
297 IHG 0.8980
298 MAE 0.8979
299 DMJ 0.8979
300 3MV 0.8979
301 QFH 0.8978
302 HBD 0.8978
303 ANN 0.8977
304 4HP 0.8976
305 DTU 0.8976
306 SR1 0.8976
307 650 0.8975
308 J0Z 0.8975
309 YPN 0.8974
310 DMV 0.8974
311 NCA 0.8974
312 SHA 0.8973
313 14J 0.8972
314 I2M 0.8970
315 ABN 0.8969
316 DCL 0.8969
317 1AB 0.8968
318 F9P 0.8967
319 MUC 0.8967
320 3H2 0.8967
321 OOG 0.8966
322 MNM 0.8965
323 2A9 0.8965
324 23B 0.8964
325 4VP 0.8964
326 J9T 0.8963
327 1SH 0.8961
328 3HP 0.8960
329 RNT 0.8959
330 PYJ 0.8959
331 7N0 0.8958
332 1LN 0.8956
333 IOM 0.8955
334 TCA 0.8955
335 IMR 0.8955
336 263 0.8953
337 3HG 0.8953
338 NIO 0.8953
339 XIZ 0.8952
340 DE2 0.8949
341 SER 0.8949
342 5XB 0.8948
343 R1X 0.8947
344 FBA 0.8947
345 BAM 0.8947
346 NBZ 0.8946
347 173 0.8946
348 CIZ 0.8946
349 BR9 0.8946
350 PYF 0.8946
351 AHN 0.8943
352 9CL 0.8943
353 ZZ3 0.8940
354 CXP 0.8940
355 TIH 0.8940
356 JB8 0.8936
357 UNU 0.8936
358 FW5 0.8935
359 KIV 0.8935
360 PZM 0.8934
361 H8N 0.8933
362 SSN 0.8933
363 1PT 0.8932
364 EDG 0.8930
365 CMS 0.8929
366 NTN 0.8928
367 6PC 0.8927
368 PBA 0.8926
369 MR1 0.8925
370 LNR 0.8924
371 4JL 0.8923
372 DHS 0.8922
373 TMH 0.8922
374 7WG 0.8921
375 42J 0.8920
376 HX2 0.8920
377 OEM 0.8918
378 OTR 0.8918
379 4JJ 0.8917
380 0L1 0.8917
381 Q9Z 0.8917
382 BP9 0.8916
383 MWJ 0.8915
384 JND 0.8915
385 2PC 0.8913
386 JDN 0.8913
387 PCA 0.8913
388 1CO 0.8913
389 2DR 0.8911
390 OCA 0.8910
391 23W 0.8908
392 YCP 0.8908
393 SHF 0.8907
394 9TY 0.8906
395 EHM 0.8906
396 NK2 0.8905
397 8EW 0.8904
398 RJY 0.8903
399 HIO 0.8903
400 174 0.8903
401 6NT 0.8902
402 826 0.8901
403 XIY 0.8899
404 RSO 0.8898
405 8WT 0.8898
406 GZL 0.8896
407 DTL 0.8895
408 HG3 0.8894
409 1M2 0.8893
410 IZC 0.8892
411 278 0.8890
412 C2B 0.8890
413 GP9 0.8889
414 JZ2 0.8889
415 G4D 0.8889
416 HY3 0.8888
417 HDA 0.8888
418 RAT 0.8888
419 F9Y 0.8887
420 5JC 0.8886
421 Y8I 0.8886
422 VGL 0.8885
423 B40 0.8884
424 TEG 0.8879
425 PGH 0.8879
426 TP5 0.8879
427 AEG 0.8877
428 MZG 0.8877
429 3SL 0.8875
430 27Y 0.8875
431 HBX 0.8875
432 ABI 0.8875
433 KTA 0.8875
434 PZA 0.8874
435 NOY 0.8874
436 RIB 0.8874
437 IF7 0.8873
438 DXX 0.8872
439 IQ0 0.8872
440 DHY 0.8871
441 269 0.8871
442 0HN 0.8871
443 HCI 0.8871
444 SS2 0.8870
445 LTL 0.8869
446 INO 0.8869
447 SMB 0.8868
448 EV0 0.8868
449 XSP 0.8868
450 APY 0.8867
451 2HO 0.8867
452 CCU 0.8866
453 MZT 0.8865
454 PAF 0.8863
455 BUB 0.8863
456 1SA 0.8861
457 B2J 0.8861
458 4NC 0.8860
459 4P5 0.8860
460 DPJ 0.8858
461 449 0.8858
462 2KT 0.8856
463 8EZ 0.8856
464 P72 0.8856
465 93K 0.8855
466 AC5 0.8854
467 PHE 0.8854
468 PSJ 0.8853
469 NBE 0.8853
470 CHB 0.8852
471 M6W 0.8851
472 HYP 0.8849
473 3A9 0.8849
474 PKU 0.8849
475 M58 0.8849
476 4M4 0.8848
477 EUG 0.8848
478 CHH 0.8848
479 MEV 0.8848
480 MLA 0.8846
481 G3H 0.8845
482 9TW 0.8845
483 QMP 0.8844
484 1F1 0.8844
485 JLZ 0.8843
486 B24 0.8842
487 5HY 0.8840
488 OHG 0.8840
489 COM 0.8839
490 P9P 0.8838
491 J9N 0.8838
492 QSC 0.8837
493 3QM 0.8836
494 BNS 0.8836
495 ODV 0.8836
496 SVJ 0.8834
497 JZ5 0.8834
498 FHB 0.8834
499 4ZA 0.8833
500 Z6J 0.8832
501 OC9 0.8829
502 FCN 0.8828
503 069 0.8828
504 192 0.8828
505 FPI 0.8827
506 LFC 0.8826
507 F06 0.8825
508 2ZM 0.8825
509 2AL 0.8824
510 F4E 0.8824
511 5AC 0.8822
512 4WL 0.8820
513 NNO 0.8820
514 XYD 0.8820
515 MRZ 0.8819
516 HIS 0.8819
517 SYG 0.8819
518 LLQ 0.8819
519 HHI 0.8818
520 X1S 0.8818
521 282 0.8818
522 3NY 0.8817
523 4A3 0.8816
524 AT3 0.8815
525 3OC 0.8814
526 IP8 0.8813
527 PY7 0.8813
528 2XX 0.8813
529 PLU 0.8812
530 K34 0.8812
531 32O 0.8812
532 4LR 0.8812
533 53C 0.8811
534 K6H 0.8810
535 FUD 0.8809
536 ETM 0.8809
537 8X3 0.8808
538 MLI 0.8808
539 HUI 0.8808
540 SPD 0.8808
541 GIF 0.8806
542 MCT 0.8806
543 KPL 0.8805
544 1MR 0.8804
545 4CL 0.8803
546 9SE 0.8800
547 AX3 0.8800
548 PRO 0.8800
549 2HU 0.8799
550 SMN 0.8799
551 IFM 0.8798
552 RNS 0.8797
553 SNE 0.8796
554 129 0.8796
555 V55 0.8796
556 3HM 0.8795
557 ICN 0.8795
558 NM2 0.8795
559 NM3 0.8795
560 M45 0.8794
561 OHP 0.8794
562 IHB 0.8794
563 34V 0.8794
564 PAH 0.8793
565 QBM 0.8793
566 4CS 0.8793
567 SC2 0.8792
568 BUA 0.8792
569 HGQ 0.8792
570 TYE 0.8791
571 6NI 0.8791
572 3YP 0.8790
573 1GP 0.8789
574 3PP 0.8789
575 DHI 0.8789
576 JZ3 0.8789
577 PYD 0.8788
578 5NI 0.8788
579 RMN 0.8785
580 L99 0.8784
581 DSN 0.8784
582 8ZE 0.8784
583 DHK 0.8783
584 92K 0.8781
585 ICF 0.8781
586 3S5 0.8781
587 UYA 0.8780
588 EFS 0.8780
589 P2D 0.8780
590 BML 0.8780
591 9SB 0.8779
592 GPJ 0.8778
593 GPF 0.8778
594 SOL 0.8777
595 XX2 0.8776
596 ORO 0.8775
597 QSB 0.8772
598 2HC 0.8772
599 CCD 0.8772
600 AOS 0.8771
601 SHI 0.8771
602 FRU 0.8771
603 FPK 0.8770
604 SS1 0.8767
605 R9S 0.8766
606 CYX 0.8766
607 45L 0.8765
608 XBZ 0.8765
609 P7Y 0.8764
610 4CH 0.8763
611 DEE 0.8763
612 ACH 0.8763
613 EOU 0.8763
614 0HO 0.8762
615 PRS 0.8761
616 S76 0.8761
617 MT2 0.8761
618 OXZ 0.8759
619 41K 0.8758
620 AAE 0.8757
621 ASC 0.8756
622 3MB 0.8755
623 60P 0.8754
624 AS3 0.8754
625 SOR 0.8754
626 RTK 0.8754
627 GLO 0.8753
628 PRI 0.8753
629 GAB 0.8753
630 OVM 0.8752
631 TFB 0.8752
632 B85 0.8750
633 RIP 0.8750
634 TIU 0.8749
635 VPR 0.8748
636 S2P 0.8748
637 7MU 0.8748
638 GRO 0.8746
639 2D8 0.8746
640 H76 0.8745
641 3XX 0.8745
642 3AL 0.8744
643 GG6 0.8743
644 ABV 0.8743
645 MYJ 0.8742
646 AC0 0.8740
647 OVP 0.8740
648 AGK 0.8739
649 2FG 0.8738
650 3ZQ 0.8738
651 GLL 0.8738
652 N2I 0.8737
653 8NY 0.8737
654 GLA 0.8736
655 FSG 0.8736
656 1P8 0.8736
657 TPO 0.8735
658 URF 0.8734
659 A5E 0.8733
660 64K 0.8733
661 TAG 0.8731
662 TNE 0.8731
663 3PY 0.8731
664 HT4 0.8729
665 PDC 0.8729
666 ES2 0.8727
667 AMS 0.8727
668 H7Y 0.8726
669 1P3 0.8725
670 2AC 0.8725
671 97T 0.8724
672 ICP 0.8724
673 LYL 0.8724
674 RUU 0.8724
675 LUQ 0.8723
676 3AB 0.8723
677 PUT 0.8722
678 11S 0.8721
679 3V4 0.8721
680 KG7 0.8719
681 C2A 0.8719
682 PD2 0.8718
683 PCT 0.8718
684 DFU 0.8718
685 GAL 0.8716
686 IVA 0.8715
687 SAN 0.8715
688 BVC 0.8715
689 HVQ 0.8715
690 2A7 0.8714
691 O7U 0.8714
692 RSF 0.8714
693 ARB 0.8713
694 JZ1 0.8712
695 BXO 0.8712
696 ES9 0.8712
697 3C4 0.8711
698 TYR 0.8711
699 FLA 0.8710
700 3HB 0.8710
701 9RW 0.8709
702 0OC 0.8709
703 IT2 0.8709
704 D1X 0.8708
705 PSE 0.8705
706 OVV 0.8705
707 TB6 0.8703
708 149 0.8702
709 BAE 0.8702
710 DMG 0.8701
711 NK1 0.8699
712 273 0.8697
713 P81 0.8694
714 SKM 0.8694
715 2RA 0.8693
716 4J8 0.8693
717 IOL 0.8691
718 QOS 0.8690
719 IDH 0.8690
720 8OZ 0.8690
721 E4P 0.8690
722 MAN 0.8688
723 R8A 0.8687
724 4DX 0.8687
725 2MH 0.8686
726 CCE 0.8686
727 R2P 0.8685
728 T6C 0.8684
729 ES6 0.8683
730 23A 0.8682
731 2BX 0.8682
732 VNJ 0.8681
733 0R0 0.8681
734 DYT 0.8681
735 DTT 0.8680
736 TH7 0.8680
737 WBU 0.8679
738 RM1 0.8678
739 OW4 0.8675
740 ESP 0.8674
741 AEH 0.8673
742 POA 0.8673
743 1A7 0.8669
744 GDE 0.8669
745 4XV 0.8668
746 SYC 0.8668
747 24B 0.8667
748 KP6 0.8666
749 2FY 0.8666
750 MTL 0.8664
751 3BZ 0.8663
752 4HO 0.8661
753 FOM 0.8660
754 AX7 0.8660
755 TDR 0.8660
756 BZ2 0.8658
757 TBP 0.8657
758 1MC 0.8656
759 ZZT 0.8655
760 HPP 0.8655
761 IP0 0.8652
762 AZF 0.8651
763 S24 0.8651
764 5MH 0.8650
765 MZ0 0.8650
766 X6X 0.8648
767 2YU 0.8648
768 0MK 0.8646
769 AAS 0.8645
770 FUB 0.8643
771 XCZ 0.8643
772 CP 0.8642
773 DGY 0.8640
774 PMF 0.8640
775 J9Q 0.8640
776 G2H 0.8638
777 VNL 0.8637
778 MTG 0.8637
779 HDL 0.8637
780 DFB 0.8637
781 HPS 0.8635
782 4TB 0.8635
783 GYE 0.8634
784 7VD 0.8634
785 NVI 0.8634
786 3NT 0.8633
787 FPY 0.8633
788 MPD 0.8632
789 286 0.8631
790 PTO 0.8630
791 HMH 0.8630
792 IPU 0.8629
793 DBH 0.8626
794 6FZ 0.8625
795 MAK 0.8624
796 ARG 0.8623
797 152 0.8622
798 MAH 0.8622
799 ESX 0.8621
800 PPY 0.8620
801 P92 0.8620
802 NSP 0.8620
803 I3A 0.8620
804 N9J 0.8619
805 4SX 0.8619
806 PRZ 0.8619
807 NK 0.8619
808 R9M 0.8616
809 FBS 0.8615
810 A3B 0.8615
811 APG 0.8615
812 4XS 0.8614
813 43M 0.8613
814 TAU 0.8613
815 MSR 0.8612
816 P80 0.8611
817 2MP 0.8610
818 5MB 0.8608
819 HIU 0.8600
820 DOR 0.8599
821 PIY 0.8599
822 03W 0.8599
823 8GC 0.8596
824 EKZ 0.8596
825 4HS 0.8596
826 FUC 0.8596
827 FUF 0.8594
828 GAF 0.8594
829 ABE 0.8592
830 G8M 0.8592
831 A09 0.8591
832 CHT 0.8590
833 34A 0.8590
834 4JU 0.8588
835 284 0.8586
836 4JN 0.8585
837 JAW 0.8584
838 ZXD 0.8581
839 GLC 0.8581
840 8WO 0.8581
841 TM7 0.8580
842 MLM 0.8580
843 5NU 0.8579
844 2EZ 0.8575
845 2D0 0.8575
846 911 0.8575
847 BGC 0.8573
848 B3U 0.8571
849 4ZE 0.8570
850 OXC 0.8569
851 TSS 0.8568
852 SAT 0.8568
853 MPV 0.8566
854 TFU 0.8565
855 XQG 0.8565
856 HMU 0.8564
857 FBW 0.8560
858 PEZ 0.8559
859 PBE 0.8558
860 7MH 0.8555
861 61M 0.8550
862 54G 0.8544
863 CWM 0.8544
864 PC 0.8541
865 S0H 0.8533
866 ILO 0.8531
867 MS9 0.8527
868 XYS 0.8513
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4JYD; Ligand: SAH; 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: 4jyd.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
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