Receptor
PDB id Resolution Class Description Source Keywords
6hxi 2.1 Å EC: 2.3.3.8 STRUCTURE OF ATP CITRATE LYASE FROM METHANOTHRIX SOEHNGENII WITH CITRATE AND COENZYME A METHANOSAETA CONCILII ATP CITRATE LYASE CENTRAL METABOLISM ACETYL-COA CITRATE SRTCA CYCLE CITRYL-COA LIPOGENESIS LYASE
Ref.: STRUCTURE OF ATP CITRATE LYASE AND THE ORIGIN OF CI SYNTHASE IN THE KREBS CYCLE. NATURE V. 568 571 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PG4 B:704;
 Invalid;
 none;
 submit data
194.226 C8 H18 O5 C(COC...
SIN D:702;
 Valid;
 none;
 submit data
118.088 C4 H6 O4 C(CC(...
NA C:502;
A:502;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
22.99 Na [Na+]
ACT D:703;
B:705;
B:706;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
59.044 C2 H3 O2 CC(=O...
FLC A:501;
C:501;
 Valid;
Valid;
 none;
none;
 submit data
189.1 C6 H5 O7 C(C(=...
PGE B:703;
B:702;
 Invalid;
Invalid;
 none;
none;
 submit data
150.173 C6 H14 O4 C(COC...
COA B:701;
D:701;
 Valid;
Valid;
 none;
none;
 submit data
767.534 C21 H36 N7 O16 P3 S CC(C)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6HXI 2.1 Å EC: 2.3.3.8 STRUCTURE OF ATP CITRATE LYASE FROM METHANOTHRIX SOEHNGENII WITH CITRATE AND COENZYME A METHANOSAETA CONCILII ATP CITRATE LYASE CENTRAL METABOLISM ACETYL-COA CITRATE SRTCA CYCLE CITRYL-COA LIPOGENESIS LYASE
Ref.: STRUCTURE OF ATP CITRATE LYASE AND THE ORIGIN OF CI SYNTHASE IN THE KREBS CYCLE. NATURE V. 568 571 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 6HXI - SIN C4 H6 O4 C(CC(=O)O)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 6HXI - SIN C4 H6 O4 C(CC(=O)O)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 6HXI - SIN C4 H6 O4 C(CC(=O)O)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SIN; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 SIN 1 1
2 3OH 0.6 0.65
3 SHF 0.588235 0.684211
4 SLP 0.5625 0.6
5 GUA 0.5625 0.882353
6 0L1 0.5625 0.833333
7 BUA 0.5625 0.611111
8 AKG 0.526316 0.833333
9 2IT 0.5 0.625
10 MLA 0.5 0.722222
11 PML 0.5 0.789474
12 AZ1 0.473684 0.75
13 SSN 0.473684 0.866667
14 OKG 0.454545 0.7
15 TCE 0.45 0.625
16 SHO 0.428571 0.619048
17 9J3 0.416667 0.608696
Ligand no: 2; Ligand: FLC; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 FLC 1 1
Ligand no: 3; Ligand: COA; Similar ligands found: 243
No: Ligand ECFP6 Tc MDL keys Tc
1 COA 1 1
2 0T1 0.894737 0.976744
3 DCA 0.893805 0.954023
4 COS 0.887931 0.977012
5 ETB 0.877193 0.920455
6 30N 0.871795 0.913979
7 CAO 0.871795 0.965909
8 AMX 0.871795 0.988235
9 SCO 0.864407 0.976744
10 CMX 0.864407 0.976744
11 ACO 0.857143 0.965909
12 FCX 0.857143 0.94382
13 FAM 0.857143 0.954545
14 HAX 0.85 0.954545
15 FYN 0.842975 1
16 3KK 0.842975 0.977012
17 OXK 0.836066 0.977012
18 KGP 0.836066 0.885417
19 SOP 0.836066 0.977012
20 YZS 0.836066 0.885417
21 COK 0.836066 0.977012
22 MCD 0.836066 0.954545
23 CA6 0.836066 0.885417
24 1VU 0.829268 0.965909
25 CMC 0.829268 0.977012
26 CO6 0.829268 0.977012
27 NMX 0.829268 0.903226
28 CAJ 0.822581 0.954545
29 2MC 0.822581 0.934066
30 SCD 0.822581 0.976744
31 2CP 0.81746 0.965909
32 3HC 0.816 0.988372
33 KGJ 0.816 0.893617
34 A1S 0.816 0.977012
35 MLC 0.816 0.977012
36 BCO 0.816 0.977012
37 IVC 0.816 0.988372
38 1HE 0.816 0.955056
39 COD 0.810345 0.988235
40 CAA 0.809524 0.988372
41 MCA 0.809524 0.965909
42 SO5 0.809524 0.876289
43 YE1 0.809524 0.965517
44 COO 0.809524 0.977012
45 LCV 0.809524 0.876289
46 YXS 0.80315 0.885417
47 MC4 0.80315 0.923913
48 YXR 0.80315 0.885417
49 SCA 0.80315 0.977012
50 KGA 0.796875 0.884211
51 HGG 0.796875 0.977012
52 BYC 0.796875 0.977012
53 3CP 0.796875 0.977012
54 COW 0.796875 0.965909
55 CA8 0.796875 0.885417
56 1GZ 0.796875 0.965909
57 KFV 0.796875 0.894737
58 IRC 0.796875 0.988372
59 COF 0.796875 0.955056
60 2KQ 0.796875 0.955056
61 4CA 0.790698 0.965909
62 FAQ 0.790698 0.977012
63 BCA 0.790698 0.965909
64 HXC 0.784615 0.955056
65 GRA 0.784615 0.977012
66 1CV 0.781955 0.977012
67 TGC 0.778626 0.965909
68 1CZ 0.772727 0.965909
69 S0N 0.772727 0.954545
70 CO8 0.772727 0.955056
71 2NE 0.772727 0.955056
72 CIC 0.772727 0.977012
73 MYA 0.766917 0.955056
74 0FQ 0.766917 0.977012
75 DCC 0.766917 0.955056
76 5F9 0.766917 0.955056
77 UCC 0.766917 0.955056
78 MFK 0.766917 0.955056
79 ST9 0.766917 0.955056
80 4CO 0.766917 0.965909
81 01A 0.761194 0.934066
82 0ET 0.761194 0.955056
83 CS8 0.755556 0.944444
84 WCA 0.755556 0.955056
85 NHW 0.75 0.955056
86 HDC 0.75 0.955056
87 NHM 0.75 0.955056
88 4KX 0.75 0.944444
89 UOQ 0.75 0.955056
90 HFQ 0.744526 0.955056
91 MRS 0.744526 0.955056
92 MRR 0.744526 0.955056
93 J5H 0.73913 0.977012
94 YNC 0.73913 0.965909
95 DAK 0.73913 0.944444
96 COA FLC 0.736 0.965116
97 8Z2 0.733813 0.944444
98 NHQ 0.723404 0.988372
99 F8G 0.715278 0.913979
100 1HA 0.713287 0.955056
101 01K 0.708333 0.977012
102 COT 0.703448 0.977012
103 CCQ 0.695652 0.934066
104 CA3 0.693878 0.977012
105 7L1 0.692308 0.965909
106 RMW 0.682119 0.955056
107 CA5 0.671053 0.934066
108 93P 0.666667 0.965909
109 UCA 0.666667 0.955056
110 CO7 0.664234 0.977012
111 N9V 0.647887 0.922222
112 93M 0.64557 0.965909
113 OXT 0.634146 0.913979
114 4BN 0.607143 0.913979
115 5TW 0.607143 0.913979
116 BUA COA 0.605634 0.943182
117 PAP 0.603604 0.811765
118 JBT 0.598837 0.894737
119 BSJ 0.592814 0.944444
120 6NA COA 0.585034 0.922222
121 HMG 0.581081 0.943182
122 MYR COA 0.573333 0.922222
123 EO3 COA 0.573333 0.922222
124 DAO COA 0.573333 0.922222
125 DCR COA 0.573333 0.922222
126 X90 COA 0.573333 0.922222
127 DKA COA 0.573333 0.922222
128 PLM COA 0.573333 0.922222
129 A3P 0.54955 0.8
130 PPS 0.547009 0.752688
131 ASP ASP ASP ILE NH2 CMC 0.536585 0.932584
132 0WD 0.521739 0.788889
133 SFC 0.490683 0.955056
134 RFC 0.490683 0.955056
135 ACE SER ASP ALY THR NH2 COA 0.483333 0.932584
136 3AM 0.482143 0.788235
137 PTJ 0.48062 0.872093
138 MET VAL ASN ALA CMC 0.480447 0.932584
139 4PS 0.477477 0.682353
140 5AD NJS 0.47619 0.913043
141 A22 0.468254 0.813953
142 A2D 0.465517 0.802326
143 PUA 0.462585 0.820225
144 PAJ 0.460938 0.883721
145 HQG 0.460317 0.813953
146 ATR 0.459016 0.8
147 AGS 0.459016 0.806818
148 3OD 0.458015 0.825581
149 ADP 0.453782 0.823529
150 9BG 0.451389 0.788889
151 A2R 0.448819 0.813953
152 8LE 0.448 0.848837
153 ACE MET LEU GLY PRO NH2 COA 0.447917 0.932584
154 UBG 0.447853 0.844444
155 BA3 0.445378 0.802326
156 OAD 0.442748 0.825581
157 NA7 0.442748 0.858824
158 ATP 0.442623 0.823529
159 HEJ 0.442623 0.823529
160 AP5 0.441667 0.802326
161 B4P 0.441667 0.802326
162 5FA 0.439024 0.823529
163 2A5 0.439024 0.847059
164 APR 0.439024 0.802326
165 AR6 0.439024 0.802326
166 AQP 0.439024 0.823529
167 AT4 0.438017 0.816092
168 AN2 0.438017 0.813953
169 48N 0.435714 0.808989
170 JNT 0.435115 0.847059
171 M33 0.434426 0.813953
172 QA7 0.434109 0.848837
173 8LQ 0.434109 0.837209
174 9X8 0.431818 0.806818
175 SRP 0.429688 0.837209
176 ANP 0.428571 0.804598
177 ADQ 0.427481 0.804598
178 YLB 0.426573 0.908046
179 YLP 0.425532 0.886364
180 5AL 0.425197 0.813953
181 7D3 0.425 0.793103
182 AD9 0.424 0.804598
183 APU 0.423611 0.786517
184 CA0 0.422764 0.804598
185 7D4 0.422764 0.793103
186 25L 0.422222 0.813953
187 ATF 0.421875 0.795455
188 F2R 0.421769 0.865169
189 NJP 0.421769 0.806818
190 A2P 0.421488 0.788235
191 8QN 0.419847 0.813953
192 PNS 0.419643 0.682353
193 ACP 0.419355 0.825581
194 KG4 0.419355 0.804598
195 8LH 0.418605 0.837209
196 J4G 0.41791 0.848837
197 NDP 0.417808 0.788889
198 ACQ 0.417323 0.825581
199 A1R 0.416667 0.882353
200 ATP A 0.416058 0.770115
201 ATP A A A 0.416058 0.770115
202 AMP 0.415254 0.8
203 A 0.415254 0.8
204 1ZZ 0.414815 0.842697
205 TXA 0.414815 0.816092
206 FYA 0.414815 0.813953
207 NB8 0.414815 0.808989
208 00A 0.413534 0.758242
209 DLL 0.413534 0.793103
210 AHX 0.413534 0.829545
211 PAX 0.412903 0.793478
212 DQV 0.411348 0.813953
213 OMR 0.409722 0.853933
214 9ZD 0.409091 0.818182
215 25A 0.409091 0.802326
216 9ZA 0.409091 0.818182
217 OOB 0.409091 0.793103
218 NPW 0.408163 0.822222
219 6YZ 0.407692 0.825581
220 WAQ 0.407407 0.860465
221 TAT 0.40625 0.816092
222 T99 0.40625 0.816092
223 4AD 0.406015 0.827586
224 AMO 0.406015 0.837209
225 A3R 0.406015 0.882353
226 B5Y 0.405797 0.786517
227 FA5 0.405797 0.816092
228 KMQ 0.405797 0.795455
229 TXP 0.405405 0.829545
230 45A 0.404959 0.781609
231 ABM 0.404959 0.781609
232 PRX 0.404762 0.825581
233 ME8 0.404412 0.842697
234 BIS 0.404412 0.818182
235 AFH 0.404255 0.78022
236 J7V 0.403846 0.778947
237 LQJ 0.402878 0.781609
238 NAI 0.402778 0.777778
239 ODP 0.402685 0.78022
240 DAL AMP 0.401515 0.793103
241 SRA 0.4 0.784091
242 ADX 0.4 0.752688
243 AU1 0.4 0.804598
Similar Ligands (3D)
Ligand no: 1; Ligand: SIN; Similar ligands found: 876
No: Ligand Similarity coefficient
1 FUM 1.0000
2 GAG 1.0000
3 BEZ 1.0000
4 MAE 1.0000
5 OAA 1.0000
6 H95 1.0000
7 HX2 1.0000
8 NMG 1.0000
9 4MV 0.9980
10 OEG 0.9902
11 ASP 0.9816
12 URP 0.9795
13 MLT 0.9789
14 LEA 0.9761
15 LMR 0.9760
16 DYA 0.9758
17 COI 0.9756
18 OK7 0.9751
19 UGC 0.9747
20 DQY 0.9744
21 CMS 0.9733
22 VKC 0.9731
23 SPA 0.9714
24 ASN 0.9703
25 2RH 0.9700
26 ABU 0.9690
27 TEO 0.9687
28 IOM 0.9677
29 CRN 0.9677
30 GLY GLY 0.9675
31 ITN 0.9673
32 MLI 0.9663
33 98J 0.9641
34 JYD 0.9641
35 DAS 0.9637
36 NXA 0.9629
37 PGA 0.9615
38 0VT 0.9612
39 PG3 0.9608
40 HTX 0.9605
41 DAV 0.9590
42 BUB 0.9589
43 LEU 0.9583
44 HDA 0.9577
45 ALO 0.9575
46 PRO 0.9567
47 GLU 0.9556
48 VAL 0.9553
49 KIV 0.9552
50 TFB 0.9549
51 AKB 0.9549
52 G3P 0.9548
53 6NA 0.9544
54 4JU 0.9541
55 FBJ 0.9541
56 40E 0.9541
57 THR 0.9539
58 JZ5 0.9535
59 IPU 0.9528
60 X1S 0.9525
61 IVA 0.9523
62 THE 0.9520
63 1KA 0.9517
64 A8C 0.9514
65 DMG 0.9511
66 PCA 0.9505
67 1GP 0.9503
68 2MH 0.9500
69 P2D 0.9498
70 HSE 0.9496
71 9X7 0.9489
72 HZP 0.9486
73 PUT 0.9484
74 IQ0 0.9478
75 54D 0.9473
76 AAE 0.9471
77 UYA 0.9467
78 PAC 0.9463
79 ILE 0.9461
80 ETX 0.9458
81 T2C 0.9453
82 3PP 0.9451
83 VAH 0.9444
84 AL0 0.9442
85 MLM 0.9442
86 DAB 0.9440
87 MAK 0.9439
88 GLN 0.9438
89 DXX 0.9437
90 C21 0.9435
91 2RA 0.9433
92 9X6 0.9432
93 PAE 0.9432
94 NCA 0.9430
95 IZC 0.9425
96 9YL 0.9420
97 BMD 0.9417
98 2PC 0.9415
99 HYP 0.9414
100 PRS 0.9413
101 SRT 0.9409
102 GLL 0.9408
103 O8Y 0.9408
104 YIV 0.9408
105 K34 0.9407
106 BEN 0.9406
107 UY7 0.9404
108 DPR 0.9403
109 2KT 0.9401
110 4HA 0.9401
111 273 0.9398
112 3HR 0.9398
113 MUC 0.9397
114 URO 0.9397
115 69O 0.9390
116 49F 0.9389
117 FQI 0.9388
118 TP5 0.9386
119 3HL 0.9384
120 HCS 0.9382
121 DSN 0.9382
122 BML 0.9382
123 282 0.9381
124 NVA 0.9381
125 IHG 0.9381
126 PAH 0.9377
127 3PY 0.9376
128 FPI 0.9376
129 HSO 0.9375
130 NIO 0.9374
131 DGN 0.9373
132 TZC 0.9370
133 S0H 0.9370
134 4CH 0.9368
135 SER 0.9366
136 HSM 0.9364
137 XAP 0.9362
138 16D 0.9362
139 BXO 0.9359
140 SD4 0.9358
141 3SL 0.9357
142 PBC 0.9357
143 TAR 0.9356
144 7WG 0.9355
145 MEQ 0.9355
146 AG2 0.9353
147 ZBT 0.9352
148 BAM 0.9347
149 TLA 0.9344
150 SS2 0.9342
151 A20 0.9342
152 OPE 0.9342
153 DE5 0.9341
154 ISZ 0.9340
155 HE2 0.9339
156 QFH 0.9339
157 CCE 0.9338
158 TB6 0.9337
159 SPV 0.9334
160 CFI 0.9333
161 CIZ 0.9331
162 JBN 0.9328
163 HBA 0.9328
164 PGH 0.9327
165 1DU 0.9326
166 AC0 0.9325
167 AHB 0.9325
168 PG0 0.9324
169 6PC 0.9324
170 CP 0.9322
171 C5J 0.9319
172 FOA 0.9318
173 BHH 0.9317
174 3SS 0.9314
175 GGL 0.9314
176 SMB 0.9314
177 PAF 0.9313
178 SMV 0.9313
179 13P 0.9313
180 7N0 0.9311
181 PE9 0.9311
182 PEP 0.9310
183 192 0.9310
184 7VD 0.9310
185 R2B 0.9310
186 BNS 0.9307
187 PHU 0.9307
188 LTL 0.9307
189 PYC 0.9306
190 EOU 0.9305
191 HIO 0.9304
192 QY9 0.9304
193 ECE 0.9301
194 UNU 0.9300
195 M6W 0.9299
196 2HG 0.9299
197 GG6 0.9299
198 ACH 0.9297
199 ORN 0.9295
200 LNO 0.9294
201 A3B 0.9293
202 AC5 0.9293
203 NTN 0.9293
204 265 0.9293
205 NIZ 0.9292
206 HL5 0.9291
207 ABN 0.9290
208 AML 0.9290
209 9ON 0.9289
210 R67 0.9288
211 ROR 0.9287
212 FBM 0.9286
213 23B 0.9286
214 F9P 0.9284
215 OCT 0.9284
216 7BC 0.9283
217 M4T 0.9283
218 TZL 0.9282
219 NBN 0.9282
220 5XA 0.9281
221 LLQ 0.9278
222 GP9 0.9277
223 URQ 0.9276
224 RSO 0.9276
225 GLY ALA 0.9274
226 WTZ 0.9273
227 IP8 0.9272
228 XBT 0.9272
229 TFS 0.9271
230 M58 0.9270
231 BE7 0.9269
232 BHO 0.9267
233 SKG 0.9267
234 PSE 0.9267
235 ZGL 0.9264
236 BUQ 0.9263
237 ONL 0.9262
238 CYS 0.9262
239 14J 0.9262
240 BP9 0.9262
241 2CO 0.9260
242 RBL 0.9259
243 QSC 0.9258
244 SAT 0.9256
245 PZA 0.9254
246 N6C 0.9253
247 I4B 0.9253
248 MPD 0.9251
249 BAL 0.9249
250 TPA 0.9248
251 DGL 0.9246
252 3S5 0.9246
253 PZI 0.9245
254 EHM 0.9245
255 DE2 0.9244
256 G3H 0.9243
257 FEH 0.9242
258 MTD 0.9240
259 SS1 0.9238
260 DGY 0.9238
261 03W 0.9238
262 LER 0.9237
263 23W 0.9237
264 2IM 0.9236
265 4VP 0.9234
266 ICF 0.9231
267 HYA 0.9230
268 LG4 0.9230
269 1DQ 0.9229
270 HIU 0.9228
271 PPR 0.9226
272 HQE 0.9225
273 URS 0.9223
274 S2G 0.9223
275 NBZ 0.9222
276 SHV 0.9221
277 YCP 0.9216
278 5FX 0.9214
279 2AS 0.9214
280 1SP 0.9214
281 PLQ 0.9214
282 MRZ 0.9213
283 QDK 0.9212
284 FW5 0.9211
285 PKU 0.9209
286 XYL 0.9208
287 RB0 0.9208
288 RB5 0.9208
289 HAI 0.9206
290 1SH 0.9206
291 9TY 0.9205
292 HP6 0.9204
293 129 0.9203
294 MSF 0.9203
295 CXF 0.9203
296 FPY 0.9200
297 GJZ 0.9200
298 IXW 0.9200
299 HBX 0.9197
300 266 0.9195
301 VGL 0.9195
302 MRY 0.9195
303 PEQ 0.9194
304 3V4 0.9193
305 AMC 0.9193
306 PPV 0.9192
307 1PT 0.9192
308 DSS 0.9190
309 I1E 0.9189
310 HIS 0.9189
311 3BB 0.9188
312 1AC 0.9188
313 XUL 0.9187
314 1SA 0.9186
315 PCR 0.9186
316 NBE 0.9186
317 PCT 0.9184
318 OGA 0.9182
319 DBB 0.9182
320 MZ0 0.9182
321 C2N 0.9179
322 C2B 0.9179
323 ABA 0.9178
324 IDM 0.9177
325 HUI 0.9177
326 R9M 0.9176
327 DCY 0.9176
328 PXY 0.9176
329 0V5 0.9175
330 CYX 0.9175
331 KMH 0.9173
332 4JL 0.9172
333 FLA 0.9170
334 SYN 0.9169
335 PYJ 0.9168
336 JAB 0.9166
337 AC6 0.9162
338 FPN 0.9161
339 8EW 0.9160
340 XLS 0.9160
341 FBA 0.9160
342 CXL 0.9158
343 PY7 0.9158
344 3OL 0.9157
345 3OM 0.9157
346 4LR 0.9156
347 XRG 0.9155
348 NPO 0.9151
349 JZ7 0.9151
350 B24 0.9149
351 HY1 0.9148
352 DA1 0.9146
353 TAU 0.9145
354 DTL 0.9142
355 APY 0.9141
356 7A8 0.9141
357 HVQ 0.9140
358 4HS 0.9139
359 RNS 0.9137
360 FSG 0.9137
361 6JN 0.9134
362 CEJ 0.9134
363 CSS 0.9131
364 PIS 0.9129
365 FAN 0.9129
366 FCN 0.9129
367 TIU 0.9128
368 GZ3 0.9128
369 URF 0.9127
370 PHB 0.9127
371 1DV 0.9125
372 DMV 0.9124
373 MZW 0.9124
374 SNE 0.9123
375 LDU 0.9122
376 PEA 0.9121
377 DCL 0.9121
378 25R 0.9120
379 ITU 0.9119
380 PPF 0.9119
381 PRI 0.9118
382 KG7 0.9116
383 39J 0.9116
384 NLE 0.9116
385 3HG 0.9113
386 CHT 0.9113
387 7CL 0.9111
388 1MR 0.9108
389 PEL 0.9106
390 EDG 0.9106
391 XM0 0.9103
392 5BR 0.9103
393 3OC 0.9101
394 PAB 0.9099
395 CYH 0.9099
396 R1X 0.9098
397 AOA 0.9096
398 IT2 0.9096
399 271 0.9095
400 SGL 0.9092
401 280 0.9092
402 GBD 0.9091
403 HBD 0.9091
404 3HB 0.9089
405 HY3 0.9088
406 WBU 0.9088
407 OXQ 0.9084
408 POA 0.9083
409 60P 0.9083
410 GPJ 0.9083
411 GPF 0.9083
412 RNT 0.9080
413 GAB 0.9080
414 SEP 0.9080
415 COM 0.9079
416 P72 0.9079
417 MET 0.9075
418 ACA 0.9074
419 OHG 0.9072
420 BU4 0.9070
421 FMS 0.9070
422 8X3 0.9070
423 KMT 0.9067
424 MED 0.9067
425 KVV 0.9059
426 TZE 0.9059
427 WCE 0.9055
428 MEU 0.9054
429 1Y6 0.9053
430 4JN 0.9053
431 KPL 0.9052
432 FB2 0.9050
433 BTL 0.9050
434 JAE 0.9050
435 PMB 0.9048
436 J9N 0.9047
437 M3H 0.9046
438 J1Z 0.9046
439 MTG 0.9044
440 8K2 0.9040
441 4CS 0.9039
442 I2M 0.9038
443 3NT 0.9038
444 IMR 0.9037
445 XPO 0.9037
446 3AB 0.9037
447 PLU 0.9036
448 CHH 0.9035
449 5HN 0.9035
450 ODV 0.9035
451 BZX 0.9033
452 25T 0.9033
453 3LR 0.9033
454 A2Q 0.9032
455 NM2 0.9029
456 NM3 0.9029
457 POP 0.9028
458 V1L 0.9027
459 NVI 0.9026
460 PYF 0.9026
461 8GC 0.9024
462 PBZ 0.9024
463 826 0.9023
464 53C 0.9023
465 4SD 0.9018
466 ISU 0.9018
467 IPH 0.9017
468 CCU 0.9015
469 OVV 0.9015
470 J9T 0.9010
471 HV2 0.9010
472 DTU 0.9007
473 P7I 0.9006
474 ABV 0.9006
475 PIY 0.9006
476 9SB 0.9004
477 9RW 0.9002
478 SAR 0.9002
479 CCD 0.9001
480 BHL 0.8999
481 NF3 0.8996
482 5AC 0.8994
483 DPF 0.8993
484 M45 0.8993
485 4MA 0.8993
486 BVG 0.8992
487 SMN 0.8992
488 CEE 0.8992
489 FOC 0.8992
490 MXN 0.8991
491 EFS 0.8991
492 ICC 0.8988
493 1AB 0.8988
494 K7M 0.8988
495 GOJ 0.8988
496 14O 0.8987
497 F60 0.8986
498 4XR 0.8985
499 2HA 0.8985
500 JZ9 0.8984
501 2HE 0.8983
502 2EH 0.8980
503 650 0.8979
504 PIM 0.8978
505 SC2 0.8977
506 5H1 0.8975
507 3BZ 0.8973
508 IOL 0.8971
509 MNN 0.8971
510 0CT 0.8970
511 BZF 0.8969
512 2K4 0.8967
513 PZM 0.8967
514 HMH 0.8966
515 2FT 0.8966
516 BVC 0.8962
517 6AI 0.8962
518 PC 0.8961
519 2PN 0.8959
520 ETM 0.8959
521 9CL 0.8958
522 1MC 0.8958
523 HPN 0.8957
524 SW7 0.8957
525 BZI 0.8957
526 URA 0.8957
527 RMN 0.8956
528 4P5 0.8956
529 FJO 0.8955
530 EGD 0.8949
531 Z82 0.8946
532 1P3 0.8945
533 DEN 0.8945
534 5MI 0.8943
535 HDH 0.8943
536 BRT 0.8942
537 1DH 0.8942
538 FUL 0.8942
539 DYT 0.8941
540 4SV 0.8939
541 IDH 0.8938
542 1DJ 0.8938
543 K6H 0.8937
544 LXC 0.8937
545 6M4 0.8932
546 RSF 0.8932
547 IND 0.8932
548 LZ1 0.8929
549 ARB 0.8927
550 XYP 0.8926
551 H8N 0.8925
552 JFJ 0.8923
553 O7U 0.8923
554 717 0.8921
555 3GR 0.8921
556 KOJ 0.8920
557 FCR 0.8919
558 N4B 0.8919
559 SAL 0.8919
560 5MB 0.8918
561 4HO 0.8918
562 51F 0.8916
563 7MU 0.8916
564 174 0.8916
565 BAE 0.8915
566 0MK 0.8914
567 GOL 0.8911
568 2EZ 0.8910
569 XYS 0.8910
570 24B 0.8909
571 4JP 0.8909
572 3U4 0.8909
573 HPV 0.8909
574 45L 0.8904
575 NMJ 0.8904
576 HPY 0.8904
577 069 0.8902
578 TH7 0.8901
579 MCT 0.8893
580 IP0 0.8892
581 GRO 0.8891
582 258 0.8890
583 BE2 0.8890
584 PMF 0.8889
585 S8V 0.8889
586 BNF 0.8888
587 TH0 0.8888
588 TDR 0.8887
589 0R1 0.8887
590 HHI 0.8887
591 RTK 0.8887
592 DHI 0.8887
593 2MI 0.8886
594 MDN 0.8885
595 SAN 0.8884
596 AX7 0.8883
597 HPS 0.8883
598 3PG 0.8883
599 3SK 0.8881
600 3QM 0.8880
601 DS0 0.8879
602 G2H 0.8878
603 RIP 0.8878
604 2TQ 0.8877
605 4JM 0.8877
606 AT3 0.8876
607 2CK 0.8875
608 IFM 0.8875
609 270 0.8872
610 GVH 0.8872
611 CRS 0.8870
612 4ZA 0.8868
613 PBE 0.8867
614 ZZT 0.8867
615 MPI 0.8866
616 OTR 0.8865
617 4WL 0.8864
618 PRA 0.8864
619 RUU 0.8863
620 HYN 0.8860
621 11S 0.8859
622 HGQ 0.8859
623 4JT 0.8857
624 NK 0.8857
625 8EZ 0.8856
626 SME 0.8856
627 OEM 0.8854
628 XBZ 0.8853
629 93B 0.8852
630 ALA ALA 0.8851
631 MWM 0.8849
632 PO6 0.8849
633 HGA 0.8846
634 GXV 0.8846
635 DHS 0.8845
636 FYU 0.8844
637 173 0.8843
638 ES6 0.8842
639 KVP 0.8841
640 TSU 0.8837
641 VX 0.8837
642 DMJ 0.8836
643 40O 0.8836
644 IFL 0.8835
645 B40 0.8835
646 3YP 0.8833
647 DFU 0.8832
648 MYQ 0.8832
649 4ZE 0.8829
650 NPY 0.8827
651 KTA 0.8826
652 8GL 0.8825
653 TMH 0.8823
654 JKE 0.8822
655 3ID 0.8820
656 DAL DAL 0.8818
657 ES9 0.8818
658 BBU 0.8817
659 284 0.8816
660 J0Z 0.8815
661 FK8 0.8815
662 TIH 0.8813
663 DHB 0.8813
664 275 0.8813
665 VNJ 0.8813
666 MNM 0.8812
667 7WV 0.8810
668 JB5 0.8809
669 7EX 0.8809
670 FBW 0.8806
671 MZG 0.8805
672 HT4 0.8805
673 1WD 0.8805
674 449 0.8805
675 FBS 0.8805
676 2YU 0.8804
677 L60 0.8804
678 FUC 0.8803
679 264 0.8803
680 OSE 0.8803
681 8OZ 0.8802
682 MLE 0.8802
683 Z6J 0.8802
684 03V 0.8801
685 4A3 0.8801
686 QMP 0.8801
687 26D 0.8800
688 2AC 0.8798
689 JZ3 0.8798
690 COU 0.8797
691 H4N 0.8796
692 0OC 0.8796
693 YRL 0.8795
694 CNL 0.8795
695 DIR 0.8794
696 SYC 0.8794
697 0R0 0.8793
698 2AQ 0.8792
699 NCT 0.8792
700 INO 0.8790
701 FK1 0.8790
702 OCH 0.8788
703 QUZ 0.8788
704 8H8 0.8788
705 RBJ 0.8786
706 GXE 0.8784
707 HMU 0.8784
708 4NC 0.8784
709 F05 0.8783
710 AAS 0.8782
711 RP7 0.8782
712 AZF 0.8781
713 TAY 0.8781
714 5JC 0.8780
715 FAC 0.8779
716 ICN 0.8778
717 2MP 0.8778
718 NNO 0.8777
719 TM7 0.8777
720 4J8 0.8776
721 XYD 0.8774
722 DMD 0.8771
723 ARA 0.8770
724 5UC 0.8769
725 OXZ 0.8768
726 MBN 0.8767
727 4FA 0.8767
728 34A 0.8766
729 QOS 0.8765
730 A1U 0.8765
731 AGK 0.8764
732 XIX 0.8764
733 9TW 0.8764
734 51R 0.8764
735 LYS 0.8764
736 ES5 0.8763
737 6M9 0.8762
738 ABE 0.8761
739 CRD 0.8760
740 K2T 0.8760
741 B85 0.8760
742 L3Q 0.8759
743 P9P 0.8758
744 TYL 0.8756
745 FHB 0.8755
746 NSP 0.8755
747 64K 0.8754
748 24T 0.8753
749 152 0.8751
750 9A7 0.8751
751 3AP 0.8749
752 TMZ 0.8749
753 ICP 0.8748
754 PYD 0.8748
755 93K 0.8746
756 P92 0.8745
757 5MH 0.8745
758 3HM 0.8743
759 HCI 0.8743
760 XX2 0.8742
761 DUC 0.8741
762 AHR 0.8739
763 MWJ 0.8737
764 4CL 0.8736
765 2AL 0.8733
766 4JJ 0.8733
767 278 0.8733
768 2PG 0.8733
769 AEF 0.8732
770 WOT 0.8730
771 4FS 0.8728
772 43M 0.8728
773 286 0.8727
774 MSE 0.8727
775 5XB 0.8727
776 2HO 0.8726
777 A09 0.8724
778 JZ1 0.8724
779 4AP 0.8724
780 NCM 0.8723
781 JLZ 0.8723
782 RUJ 0.8722
783 3AL 0.8722
784 4HP 0.8722
785 2AP 0.8720
786 GVG 0.8720
787 RCO 0.8720
788 SYG 0.8719
789 OHP 0.8716
790 MMU 0.8713
791 RIB 0.8711
792 QSB 0.8711
793 JZ2 0.8711
794 H42 0.8711
795 MYJ 0.8710
796 8NY 0.8710
797 5HY 0.8708
798 SOR 0.8707
799 HRZ 0.8705
800 ET2 0.8704
801 H3M 0.8702
802 3HP 0.8700
803 261 0.8700
804 FA0 0.8700
805 R9S 0.8697
806 3CL 0.8697
807 CHB 0.8696
808 IHB 0.8695
809 DOB 0.8691
810 9PO 0.8691
811 BR9 0.8688
812 13D 0.8688
813 27Y 0.8687
814 BHA 0.8686
815 HQJ 0.8685
816 IWT 0.8683
817 HVK 0.8682
818 5OB 0.8680
819 285 0.8680
820 RUY 0.8678
821 GIF 0.8675
822 DAL 0.8675
823 RHU 0.8675
824 HX3 0.8671
825 L5V 0.8670
826 3Q7 0.8668
827 TLD 0.8667
828 FUF 0.8667
829 4M0 0.8667
830 MAH 0.8664
831 3CH 0.8657
832 LG3 0.8656
833 5CU 0.8655
834 4XX 0.8654
835 CYT 0.8651
836 C2A 0.8651
837 IUR 0.8650
838 8CL 0.8646
839 YHO 0.8646
840 R8A 0.8637
841 BZ3 0.8636
842 D2P 0.8635
843 RAT 0.8631
844 6TZ 0.8629
845 4JO 0.8626
846 DGJ 0.8624
847 5XC 0.8621
848 FBV 0.8620
849 HC4 0.8619
850 Y8I 0.8619
851 4DX 0.8618
852 TMT 0.8615
853 KYD 0.8609
854 E5X 0.8604
855 FB1 0.8603
856 1P8 0.8603
857 LGA 0.8600
858 3HA 0.8599
859 1LN 0.8597
860 PHE 0.8591
861 DBH 0.8589
862 OXL 0.8584
863 TTO 0.8582
864 ANN 0.8582
865 PYR 0.8579
866 2LP 0.8576
867 HX4 0.8572
868 0TR 0.8568
869 L99 0.8561
870 9EW 0.8549
871 JZ4 0.8547
872 NOY 0.8541
873 36Y 0.8540
874 3PF 0.8539
875 ETF 0.8533
876 G4D 0.8507
Ligand no: 2; Ligand: FLC; Similar ligands found: 945
No: Ligand Similarity coefficient
1 CIT 1.0000
2 AKG 1.0000
3 PAF 1.0000
4 2IT 1.0000
5 NTC 0.9905
6 7A3 0.9740
7 7A2 0.9685
8 TRC 0.9655
9 TRA 0.9628
10 GLY ASP 0.9594
11 1AL 0.9566
12 NCD 0.9546
13 ICT 0.9527
14 NFQ 0.9417
15 ATH 0.9415
16 P4B 0.9381
17 HCA 0.9379
18 DMO 0.9370
19 GLY LEU 0.9344
20 PDC 0.9334
21 NTM 0.9327
22 CCB 0.9325
23 MAH 0.9316
24 AN0 0.9310
25 GBN 0.9307
26 OTD 0.9303
27 3S4 0.9296
28 EKN 0.9290
29 QM1 0.9270
30 7QD 0.9258
31 XQB 0.9257
32 CAX 0.9256
33 ORO 0.9250
34 ENL 0.9245
35 QIC 0.9244
36 AOR 0.9239
37 2CG 0.9239
38 0FA 0.9237
39 4TE 0.9233
40 5XB 0.9229
41 V6F 0.9203
42 PHT 0.9198
43 NLG 0.9192
44 DOR 0.9192
45 IPM 0.9191
46 5UK 0.9190
47 NQM 0.9189
48 8WQ 0.9188
49 OIA 0.9185
50 87L 0.9178
51 HCT 0.9176
52 MIC 0.9174
53 NLQ 0.9174
54 GJS 0.9170
55 0GY 0.9165
56 GM7 0.9163
57 KLW 0.9163
58 5XR 0.9158
59 R1P 0.9157
60 LSA 0.9155
61 VPR 0.9151
62 ALA LEU 0.9150
63 JKZ 0.9150
64 AVI 0.9149
65 OMD 0.9147
66 KTA 0.9144
67 AVO 0.9143
68 40F 0.9140
69 4WK 0.9136
70 HMQ 0.9135
71 6XI 0.9130
72 KAI 0.9125
73 GLY PRO 0.9121
74 FOT 0.9120
75 8VN 0.9119
76 256 0.9118
77 PCV 0.9113
78 2D3 0.9112
79 OXC 0.9112
80 TEN 0.9110
81 QAS 0.9110
82 OAF 0.9108
83 HJ7 0.9108
84 2AL 0.9106
85 YQA 0.9103
86 SIF 0.9103
87 NIG 0.9098
88 GZ8 0.9098
89 J01 0.9095
90 0F9 0.9094
91 CDT 0.9091
92 AIN 0.9085
93 PD2 0.9084
94 D1X 0.9083
95 5HY 0.9082
96 8G0 0.9081
97 791 0.9080
98 7NI 0.9078
99 DII 0.9074
100 PFL 0.9069
101 HNQ 0.9068
102 G88 0.9067
103 QAT 0.9063
104 MEV 0.9059
105 42C 0.9058
106 F69 0.9054
107 FA3 0.9053
108 XQK 0.9052
109 ONR 0.9051
110 TSA 0.9050
111 DQA 0.9046
112 GNL 0.9043
113 NSG 0.9043
114 4ME 0.9042
115 DNC 0.9040
116 FRU 0.9039
117 GTR 0.9037
118 IJZ 0.9037
119 OVM 0.9036
120 AVJ 0.9036
121 HJP 0.9036
122 K2P 0.9033
123 GTC 0.9032
124 6NT 0.9032
125 CDV 0.9031
126 AW5 0.9031
127 GV9 0.9025
128 5FN 0.9024
129 BRR 0.9023
130 AKH 0.9023
131 L14 0.9022
132 AH8 0.9021
133 LT8 0.9020
134 3NY 0.9019
135 QPR 0.9019
136 DNF 0.9017
137 AQK 0.9015
138 AME 0.9014
139 OW4 0.9014
140 SKM 0.9013
141 HQ9 0.9013
142 PRZ 0.9010
143 O2A 0.9010
144 0JD 0.9010
145 6R8 0.9010
146 2BX 0.9007
147 SXS 0.9007
148 ALA PRO 0.9005
149 5CU 0.9004
150 3AL 0.9004
151 SF9 0.9002
152 Q6T 0.9001
153 UNC 0.9000
154 4RW 0.8993
155 FX1 0.8992
156 KJU 0.8989
157 S2T 0.8988
158 7ZE 0.8987
159 R9S 0.8986
160 34D 0.8984
161 SER THR 0.8981
162 3PO 0.8981
163 X1E 0.8980
164 SOE 0.8979
165 F12 0.8976
166 2ZM 0.8975
167 DHK 0.8974
168 ADA 0.8973
169 JAW 0.8972
170 0HO 0.8972
171 5NI 0.8969
172 GDE 0.8967
173 1F1 0.8967
174 0LH 0.8966
175 7WR 0.8966
176 0HN 0.8966
177 41K 0.8966
178 N8P 0.8963
179 9PY 0.8963
180 GAL 0.8962
181 EPR 0.8962
182 329 0.8962
183 C5A 0.8960
184 8GL 0.8957
185 Z5P 0.8955
186 GXL 0.8954
187 9FL 0.8953
188 2FT 0.8949
189 SF6 0.8949
190 FBG 0.8949
191 IPZ 0.8947
192 KJM 0.8946
193 DOB 0.8946
194 DIG 0.8945
195 DG2 0.8943
196 8XQ 0.8942
197 FA0 0.8941
198 W81 0.8940
199 GLO 0.8939
200 1PL 0.8939
201 ODO 0.8939
202 6NI 0.8939
203 2FG 0.8936
204 HZQ 0.8936
205 1CO 0.8935
206 293 0.8934
207 VNL 0.8934
208 3MF 0.8932
209 FA6 0.8931
210 PRE 0.8928
211 495 0.8928
212 KDF 0.8928
213 PQK 0.8927
214 9KH 0.8927
215 9SE 0.8927
216 SSC 0.8926
217 BHA 0.8925
218 PNZ 0.8924
219 URC 0.8923
220 RAT 0.8921
221 HLZ 0.8921
222 5WY 0.8920
223 OEM 0.8920
224 091 0.8919
225 M75 0.8918
226 OW7 0.8918
227 5ZZ 0.8917
228 2ZQ 0.8917
229 12B 0.8916
230 BDF 0.8916
231 LFR 0.8916
232 2HU 0.8913
233 NGO 0.8913
234 T2D 0.8913
235 5OB 0.8913
236 MT0 0.8912
237 3IT 0.8911
238 HA5 0.8911
239 X09 0.8911
240 GIV 0.8910
241 IPB 0.8910
242 HHT 0.8908
243 REL 0.8906
244 ICO 0.8906
245 3A9 0.8905
246 RSM 0.8905
247 PSV 0.8903
248 NGT 0.8903
249 HLD 0.8903
250 6CS 0.8902
251 60Q 0.8900
252 ZZ8 0.8900
253 SR4 0.8899
254 4M0 0.8899
255 JDN 0.8899
256 0GZ 0.8898
257 CBF 0.8896
258 IAC 0.8895
259 5GU 0.8895
260 JB8 0.8894
261 GLG 0.8893
262 ASC 0.8893
263 HDL 0.8892
264 TSR 0.8892
265 3MB 0.8891
266 ABI 0.8890
267 N7P 0.8890
268 PEZ 0.8889
269 40H 0.8888
270 2MN 0.8887
271 BZ3 0.8887
272 B09 0.8885
273 ANN 0.8885
274 RNS 0.8884
275 TSS 0.8884
276 1U1 0.8883
277 M44 0.8882
278 C2U 0.8882
279 8WO 0.8881
280 B0D 0.8879
281 6LW 0.8877
282 RNT 0.8876
283 J9Q 0.8874
284 KDG 0.8873
285 SC2 0.8873
286 6JN 0.8873
287 GLA 0.8873
288 DBX 0.8873
289 APG 0.8872
290 4P0 0.8869
291 4A5 0.8869
292 LAO 0.8868
293 2ED 0.8867
294 97T 0.8867
295 9DG 0.8867
296 8GK 0.8866
297 TVP 0.8865
298 XSP 0.8865
299 2PG 0.8865
300 APZ 0.8863
301 KYA 0.8862
302 GCU 0.8862
303 0OC 0.8862
304 FF3 0.8861
305 CN0 0.8860
306 15N 0.8860
307 IT9 0.8859
308 X8Z 0.8857
309 OHP 0.8855
310 SER PRO 0.8855
311 TEP 0.8854
312 S76 0.8854
313 MTL 0.8854
314 GCO 0.8853
315 149 0.8852
316 FHN 0.8851
317 3OC 0.8850
318 YIO 0.8849
319 5RN 0.8849
320 XYH 0.8849
321 TIU 0.8849
322 AMH 0.8849
323 EMZ 0.8848
324 RXA 0.8848
325 BDP 0.8848
326 E5X 0.8847
327 Q7A 0.8847
328 FUD 0.8845
329 AI2 0.8844
330 2TQ 0.8844
331 290 0.8844
332 IFG 0.8843
333 PSJ 0.8843
334 1GN 0.8842
335 A13 0.8842
336 141 0.8841
337 FIX 0.8840
338 MQB 0.8840
339 7D2 0.8839
340 NGW 0.8839
341 210 0.8839
342 2H5 0.8838
343 3DM 0.8838
344 3HG 0.8837
345 5XC 0.8837
346 RD4 0.8836
347 DA4 0.8836
348 KMH 0.8835
349 EV0 0.8835
350 2F6 0.8835
351 ET2 0.8833
352 PPK 0.8833
353 CWJ 0.8832
354 NVU 0.8832
355 OVV 0.8829
356 NAG 0.8829
357 0CG 0.8829
358 M0Q 0.8828
359 12T 0.8826
360 GAF 0.8826
361 QSH 0.8826
362 MLE 0.8825
363 CFP 0.8824
364 TAG 0.8824
365 GLY MET 0.8823
366 AHB 0.8823
367 PX7 0.8823
368 SDD 0.8822
369 TAR 0.8822
370 ES0 0.8822
371 15L 0.8821
372 GCB 0.8820
373 DX4 0.8820
374 4WL 0.8820
375 ISD 0.8819
376 Q71 0.8819
377 BZ2 0.8818
378 AZA 0.8818
379 8VE 0.8818
380 X1R 0.8818
381 MBG 0.8817
382 39U 0.8816
383 D07 0.8816
384 AZG 0.8816
385 F31 0.8816
386 SOL 0.8816
387 MS9 0.8816
388 2FY 0.8815
389 X6X 0.8814
390 4AA 0.8814
391 MUC 0.8814
392 7UC 0.8814
393 M2K 0.8813
394 MB1 0.8813
395 1U5 0.8813
396 MMA 0.8813
397 LPK 0.8812
398 NZ2 0.8812
399 XAN 0.8811
400 BMA 0.8810
401 9CA 0.8809
402 NGA 0.8809
403 ZOL 0.8809
404 EUG 0.8808
405 152 0.8808
406 Q88 0.8808
407 FBU 0.8808
408 G4D 0.8808
409 SLC 0.8808
410 DZX 0.8808
411 ES2 0.8807
412 RPQ 0.8807
413 NQ 0.8807
414 GUN 0.8806
415 SYA 0.8806
416 BK9 0.8806
417 212 0.8806
418 AHD 0.8806
419 GLR 0.8805
420 GTL 0.8805
421 FA1 0.8805
422 GTQ 0.8804
423 H6B 0.8804
424 TPO 0.8803
425 NTZ 0.8803
426 5DL 0.8803
427 XX3 0.8803
428 IUP 0.8803
429 RM1 0.8803
430 NLA 0.8802
431 GAB 0.8801
432 TLA 0.8801
433 GCV 0.8801
434 QBK 0.8800
435 S24 0.8800
436 EU7 0.8800
437 RIM 0.8800
438 8TX 0.8799
439 2O6 0.8799
440 DCO 0.8799
441 5LD 0.8798
442 463 0.8798
443 AFS 0.8797
444 6KT 0.8797
445 INE 0.8796
446 FPK 0.8794
447 KDO 0.8794
448 VK3 0.8793
449 7VS 0.8792
450 94W 0.8791
451 OVP 0.8791
452 KBB 0.8791
453 I3A 0.8791
454 3HB 0.8790
455 8EW 0.8789
456 449 0.8788
457 4HC 0.8788
458 JJQ 0.8787
459 BFM 0.8786
460 IGA 0.8786
461 NZ3 0.8786
462 2A7 0.8786
463 CS2 0.8786
464 27L 0.8785
465 SHA 0.8785
466 A2F 0.8785
467 M5N 0.8785
468 K5W 0.8784
469 ESP 0.8784
470 5RG 0.8784
471 5RP 0.8784
472 ZXD 0.8784
473 92P 0.8783
474 4P5 0.8783
475 F0J 0.8783
476 P23 0.8783
477 ASO 0.8782
478 1X7 0.8782
479 NCT 0.8781
480 HA7 0.8781
481 IOS 0.8781
482 M1E 0.8780
483 53C 0.8780
484 DHS 0.8780
485 DY8 0.8780
486 TT4 0.8779
487 NID 0.8779
488 PA1 0.8779
489 3NT 0.8777
490 GLF 0.8777
491 4AV 0.8777
492 5NU 0.8775
493 SRO 0.8775
494 RES 0.8775
495 GOG 0.8775
496 1IT 0.8774
497 PXL 0.8773
498 0RN 0.8772
499 3C7 0.8772
500 NOJ 0.8771
501 NHC 0.8771
502 N2I 0.8769
503 XIY 0.8768
504 BGT 0.8768
505 AMG 0.8768
506 CLW 0.8768
507 M5E 0.8766
508 NOY 0.8765
509 DBH 0.8765
510 2SX 0.8765
511 1LQ 0.8765
512 EVA 0.8764
513 N5J 0.8764
514 7Y3 0.8764
515 XAZ 0.8764
516 BCU 0.8763
517 AJ2 0.8763
518 G2F 0.8763
519 B5D 0.8762
520 GLC 0.8762
521 AFR 0.8761
522 AUD 0.8761
523 J9W 0.8760
524 SOR 0.8760
525 GIM 0.8760
526 V55 0.8759
527 DBJ 0.8759
528 SWA 0.8759
529 9MG 0.8759
530 LQ2 0.8758
531 FUC 0.8758
532 AS3 0.8757
533 K2Q 0.8757
534 7HP 0.8757
535 L5V 0.8757
536 6DP 0.8757
537 FE DB1 0.8756
538 HHA 0.8756
539 1SQ 0.8756
540 II6 0.8754
541 6TZ 0.8753
542 G8M 0.8753
543 5IQ 0.8752
544 9RH 0.8752
545 EYK 0.8752
546 BGC 0.8752
547 MZM 0.8752
548 MR1 0.8752
549 M5B 0.8751
550 3R9 0.8751
551 C2Y 0.8751
552 M0W 0.8750
553 3C1 0.8750
554 MAJ 0.8750
555 1NP 0.8748
556 ROR 0.8748
557 H42 0.8747
558 M1Q 0.8747
559 45L 0.8746
560 0P6 0.8745
561 YH7 0.8745
562 ALL 0.8745
563 GIO 0.8745
564 SJ5 0.8745
565 9TZ 0.8744
566 3M0 0.8744
567 1FF 0.8744
568 VGD 0.8744
569 7N0 0.8744
570 F9Y 0.8744
571 4ZA 0.8744
572 52C 0.8743
573 YTX 0.8743
574 23J 0.8743
575 3C2 0.8742
576 ECG 0.8742
577 MFU 0.8742
578 PE0 0.8742
579 56D 0.8741
580 6FZ 0.8740
581 APS 0.8740
582 BPS 0.8740
583 FYU 0.8740
584 A9O 0.8739
585 GCS 0.8739
586 N2Z 0.8739
587 G5V 0.8738
588 A29 0.8738
589 3HP 0.8737
590 YSO 0.8737
591 GTZ 0.8736
592 4NG 0.8736
593 CSN 0.8735
594 3HA 0.8735
595 H62 0.8734
596 EA1 0.8734
597 DHI 0.8734
598 790 0.8734
599 4BZ 0.8733
600 MJ2 0.8733
601 5DI 0.8732
602 Q24 0.8731
603 UAN 0.8731
604 4TU 0.8730
605 2M5 0.8730
606 1P8 0.8729
607 DJN 0.8728
608 3F0 0.8728
609 XEN 0.8728
610 J9T 0.8727
611 HQJ 0.8727
612 KIF 0.8726
613 MVL 0.8726
614 DIE 0.8726
615 4HM 0.8726
616 AZ8 0.8726
617 4NM 0.8725
618 SNO 0.8724
619 2C0 0.8724
620 428 0.8724
621 MEW 0.8723
622 B2Y 0.8722
623 AQO 0.8722
624 5Q0 0.8722
625 RNO 0.8721
626 5M0 0.8721
627 ES1 0.8721
628 GLU 0.8720
629 BTY 0.8720
630 M5K 0.8719
631 IFL 0.8719
632 K2T 0.8718
633 CTL 0.8718
634 P22 0.8718
635 ESX 0.8718
636 8S0 0.8717
637 VOH 0.8717
638 CKA 0.8717
639 3CR 0.8716
640 DXG 0.8716
641 HTP 0.8716
642 GZL 0.8715
643 0UT 0.8715
644 4XV 0.8715
645 FBB 0.8714
646 4FS 0.8714
647 54G 0.8714
648 G3F 0.8714
649 QX4 0.8714
650 FOC 0.8713
651 A3M 0.8713
652 8ZE 0.8712
653 75K 0.8712
654 3S6 0.8711
655 GLY CYS 0.8711
656 KIA 0.8710
657 KIB 0.8710
658 3C4 0.8709
659 SN4 0.8708
660 FH2 0.8708
661 HMU 0.8706
662 4I8 0.8706
663 5WX 0.8706
664 4CS 0.8706
665 JRB 0.8706
666 92K 0.8706
667 PHY 0.8705
668 MHK 0.8705
669 7MU 0.8704
670 HIS 0.8704
671 TNX 0.8704
672 NDG 0.8703
673 HBU 0.8703
674 289 0.8703
675 3MG 0.8703
676 8XL 0.8703
677 3TJ 0.8702
678 JR2 0.8702
679 GOX 0.8702
680 36R 0.8702
681 03V 0.8702
682 2C2 0.8701
683 069 0.8701
684 KBG 0.8699
685 3BU 0.8698
686 MNP 0.8698
687 ARP 0.8698
688 4NB 0.8697
689 5JQ 0.8696
690 2AQ 0.8695
691 COU 0.8695
692 43W 0.8695
693 BPN 0.8695
694 ADE 0.8694
695 3AB 0.8692
696 ES5 0.8692
697 HH5 0.8691
698 0W8 0.8691
699 1SV 0.8690
700 PEY 0.8690
701 7FF 0.8689
702 JTH 0.8689
703 3MV 0.8689
704 3R6 0.8688
705 ICB 0.8688
706 F4E 0.8686
707 MO8 0.8686
708 VXX 0.8686
709 MAN 0.8686
710 BCK 0.8685
711 GIF 0.8684
712 CTS 0.8684
713 51R 0.8684
714 20J 0.8683
715 1Z8 0.8683
716 NMJ 0.8683
717 LDP 0.8683
718 ZGL 0.8682
719 GYP 0.8681
720 B2J 0.8681
721 AOS 0.8680
722 308 0.8680
723 3PG 0.8680
724 AGK 0.8679
725 FDK 0.8679
726 MT5 0.8678
727 XXG 0.8678
728 A2G 0.8678
729 CKU 0.8677
730 717 0.8676
731 AEZ 0.8675
732 9ZE 0.8674
733 M4E 0.8673
734 7HQ 0.8673
735 SR1 0.8672
736 49N 0.8672
737 KFH 0.8672
738 DPF 0.8670
739 12M 0.8670
740 SVD 0.8669
741 9FE 0.8669
742 787 0.8668
743 AEH 0.8668
744 1P3 0.8668
745 HQD 0.8668
746 PHB 0.8668
747 FP1 0.8667
748 CFF 0.8665
749 2LY 0.8665
750 OCH 0.8665
751 MUA 0.8664
752 CNL 0.8664
753 PAB 0.8663
754 TRP 0.8663
755 HPA 0.8663
756 5MK 0.8663
757 M74 0.8662
758 I6G 0.8662
759 SYV 0.8662
760 1M2 0.8662
761 4JQ 0.8661
762 7Q1 0.8661
763 GT0 0.8661
764 B55 0.8660
765 ZZT 0.8660
766 SEP 0.8659
767 XH2 0.8659
768 QMS 0.8659
769 GYE 0.8659
770 2BG 0.8658
771 IOP 0.8658
772 DEW 0.8658
773 9R5 0.8656
774 IF7 0.8656
775 LCN 0.8656
776 61O 0.8654
777 M1H 0.8654
778 DMJ 0.8653
779 8GC 0.8652
780 BM3 0.8652
781 NPO 0.8652
782 DHB 0.8652
783 4VY 0.8652
784 8H8 0.8650
785 7ME 0.8650
786 GVM 0.8650
787 ZON 0.8647
788 NDH 0.8647
789 NOK 0.8647
790 F34 0.8647
791 M1P 0.8647
792 FBV 0.8646
793 1L5 0.8646
794 SRT 0.8645
795 LGC 0.8645
796 CFA 0.8645
797 BZJ 0.8645
798 LRH 0.8642
799 LT3 0.8642
800 EOL 0.8642
801 6VD 0.8641
802 2AS 0.8641
803 67X 0.8640
804 HMH 0.8640
805 BBK 0.8639
806 BZS 0.8638
807 QDK 0.8638
808 XLS 0.8638
809 R20 0.8638
810 XUL 0.8637
811 IFP 0.8637
812 24B 0.8636
813 GDL 0.8635
814 P84 0.8635
815 HYA 0.8635
816 49O 0.8634
817 NBG 0.8634
818 MWP 0.8634
819 MCO 0.8633
820 GC2 0.8632
821 B62 0.8631
822 MNM 0.8630
823 ASF 0.8630
824 Q07 0.8629
825 261 0.8629
826 5HN 0.8628
827 AX3 0.8628
828 UFV 0.8627
829 AHR 0.8627
830 SMN 0.8627
831 ONL 0.8626
832 4JT 0.8625
833 46P 0.8625
834 CIP 0.8625
835 GLL 0.8625
836 ZZ3 0.8624
837 DGJ 0.8624
838 4XS 0.8623
839 HXX 0.8623
840 GJP 0.8620
841 5RO 0.8620
842 VM1 0.8619
843 BTE 0.8619
844 259 0.8618
845 3Z8 0.8617
846 DAL DAL 0.8616
847 3SK 0.8616
848 PJW 0.8616
849 TQU 0.8615
850 PTO 0.8615
851 DS0 0.8615
852 3PF 0.8614
853 6M4 0.8614
854 SYG 0.8614
855 G2H 0.8613
856 GRO 0.8613
857 DQU 0.8612
858 RM4 0.8612
859 GLN 0.8612
860 SHG 0.8610
861 PZI 0.8610
862 DIU 0.8610
863 FBW 0.8609
864 HDH 0.8609
865 EHM 0.8608
866 3U4 0.8607
867 PZM 0.8607
868 5QX 0.8605
869 2CZ 0.8604
870 XCZ 0.8603
871 5QY 0.8603
872 M3Q 0.8602
873 SAL 0.8602
874 FUL 0.8602
875 BZX 0.8601
876 ZB1 0.8600
877 HC4 0.8600
878 FBF 0.8598
879 DHY 0.8598
880 G1P 0.8595
881 RB0 0.8595
882 LNR 0.8595
883 44V 0.8594
884 3BZ 0.8594
885 GZQ 0.8591
886 7CT 0.8590
887 JKE 0.8589
888 WCE 0.8588
889 S7J 0.8588
890 ZWZ 0.8587
891 9BF 0.8587
892 BE2 0.8587
893 KG1 0.8587
894 INO 0.8584
895 5LA 0.8582
896 XYL 0.8582
897 ARW 0.8582
898 JAA 0.8580
899 1LN 0.8579
900 FCB 0.8578
901 MYJ 0.8577
902 9FQ 0.8576
903 57O 0.8575
904 RIB 0.8575
905 K6H 0.8575
906 4NC 0.8574
907 2B4 0.8573
908 4FA 0.8573
909 SNE 0.8572
910 E1P 0.8572
911 YRL 0.8569
912 3GQ 0.8568
913 4RU 0.8567
914 2LP 0.8567
915 J6W 0.8565
916 8NX 0.8565
917 3FH 0.8564
918 N3W 0.8564
919 R8V 0.8564
920 E7Z 0.8564
921 173 0.8563
922 JND 0.8561
923 8OZ 0.8560
924 8WT 0.8560
925 RMN 0.8559
926 X1P 0.8553
927 5VJ 0.8552
928 2HO 0.8552
929 TTL 0.8551
930 5NS 0.8550
931 AC6 0.8548
932 XX2 0.8548
933 TNE 0.8544
934 7MK 0.8542
935 JZ4 0.8542
936 36E 0.8539
937 ISJ 0.8536
938 PXM 0.8532
939 AOZ 0.8526
940 T9G 0.8521
941 HBD 0.8521
942 UFO 0.8516
943 UNJ 0.8512
944 X05 0.8512
945 5GT 0.8508
Ligand no: 3; Ligand: COA; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6HXI; Ligand: COA; 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: 6hxi.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6HXI; Ligand: COA; 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: 6hxi.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6HXI; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 6hxi.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6HXI; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 6hxi.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 6HXI; Ligand: SIN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 6hxi.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 6HXI; Ligand: SIN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 6hxi.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 6HXI; Ligand: FLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 6hxi.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 6HXI; Ligand: FLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 6hxi.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 6HXI; Ligand: FLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 6hxi.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 6HXI; Ligand: FLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 6hxi.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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