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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
4HN1	1.6 Å	EC: 5.-.-.-	CRYSTAL STRUCTURE OF H60N/Y130F DOUBLE MUTANT OF CHMJ, A 3'- MONOEPIMERASE FROM STREPTOMYCES BIKINIENSIS IN COMPLEX WITH	STREPTOMYCES BIKINIENSIS	3-prime -MONOEPIMERASE NATURAL PRODUCT DEOXYSUGAR CHALCOMYCIN MYCINOSE CUPIN FOLD NUCLEOTIDE-LINKED SUGAR EPIMERIZATIOUNKNOWN FUNCTION
Ref.:	STRUCTURAL AND FUNCTIONAL STUDIES ON A 3'-EPIMERASE IN THE BIOSYNTHESIS OF DTDP-6-DEOXY-D-ALLOSE. BIOCHEMISTRY V. 51 9375 2012

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	Molecular Weight (Da)	Formula	SMILES
EDO	A:301; A:302; A:303; A:304; B:301; B:302; B:303; C:301; C:302; D:301; D:302;	Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid;	none; none; none; none; none; none; none; none; none; none; none;	submit data	62.068	C2 H6 O2	C(CO)...
TDR	C:305; D:303;	Valid; Valid;	none; none;	submit data	126.113	C5 H6 N2 O2	CC1=C...
THM	A:306; B:305;	Valid; Valid;	none; none;	submit data	242.229	C10 H14 N2 O5	CC1=C...
TYD	A:305; B:304; C:303; C:304;	Valid; Valid; Valid; Valid;	none; none; none; none;	submit data	402.188	C10 H16 N2 O11 P2	CC1=C...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
4HN1	1.6 Å	EC: 5.-.-.-	CRYSTAL STRUCTURE OF H60N/Y130F DOUBLE MUTANT OF CHMJ, A 3'- MONOEPIMERASE FROM STREPTOMYCES BIKINIENSIS IN COMPLEX WITH	STREPTOMYCES BIKINIENSIS	3-prime -MONOEPIMERASE NATURAL PRODUCT DEOXYSUGAR CHALCOMYCIN MYCINOSE CUPIN FOLD NUCLEOTIDE-LINKED SUGAR EPIMERIZATIOUNKNOWN FUNCTION
Ref.:	STRUCTURAL AND FUNCTIONAL STUDIES ON A 3'-EPIMERASE IN THE BIOSYNTHESIS OF DTDP-6-DEOXY-D-ALLOSE. BIOCHEMISTRY V. 51 9375 2012

Members (2)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 30 families.
1	4HN1	-	TDR	C5 H6 N2 O2	CC1=CNC(=O....
2	4HMZ	-	18T	C16 H26 N2 O15 P2	C[C@@H]1[C....

70% Homology Family (2)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 29 families.
1	4HN1	-	TDR	C5 H6 N2 O2	CC1=CNC(=O....
2	4HMZ	-	18T	C16 H26 N2 O15 P2	C[C@@H]1[C....

50% Homology Family (4)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 2 families.
1	1OI6	-	TMP	C10 H15 N2 O8 P	CC1=CN(C(=....
2	4HN1	-	TDR	C5 H6 N2 O2	CC1=CNC(=O....
3	4HMZ	-	18T	C16 H26 N2 O15 P2	C[C@@H]1[C....
4	2IXC	-	TRH	C16 H26 N2 O15 P2	C[C@H]1[C@....

Polypharmacology

Similar Ligands (2D)

Ligand no: 1; Ligand: TDR; Similar ligands found: 6

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	TDR	1	1
2	IUR	0.483871	0.860465
3	URF	0.451613	0.860465
4	WBU	0.451613	0.840909
5	5UC	0.4375	0.860465
6	FYU	0.4	0.95

Ligand no: 2; Ligand: THM; Similar ligands found: 73

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	LLT	1	1
2	THM	1	1
3	0DN	0.777778	0.923077
4	TXS	0.704918	0.869565
5	TMP	0.693548	0.859155
6	T3S	0.68254	0.869565
7	TYD	0.641791	0.873239
8	ID2	0.637931	0.910448
9	T3P	0.629032	0.84507
10	TBD	0.623188	0.837838
11	AZZ	0.609375	0.857143
12	TTP	0.605634	0.873239
13	BVD	0.587302	0.953846
14	TTP MG	0.575342	0.871429
15	BTD	0.550725	0.873239
16	3DT	0.540984	0.953846
17	NYM	0.536232	0.835616
18	FDM	0.536232	0.8
19	THP	0.528571	0.84507
20	WMJ	0.525	0.78481
21	DAU	0.52381	0.863014
22	TLO	0.518519	0.849315
23	ATM	0.513514	0.779221
24	9RC	0.512195	0.743902
25	DUR	0.508197	0.952381
26	0TT	0.506494	0.926471
27	3YN	0.5	0.837838
28	1JB	0.494118	0.837838
29	18T	0.494118	0.837838
30	3R2	0.494118	0.826667
31	TRH	0.494118	0.837838
32	TDX	0.494118	0.849315
33	MCY	0.492308	0.925373
34	74W	0.488636	0.775
35	74X	0.488636	0.775
36	ATY	0.487179	0.824324
37	T3F	0.482759	0.815789
38	T3Q	0.482759	0.815789
39	DWN	0.482759	0.815789
40	5HU	0.478873	0.873239
41	T46	0.477273	0.837838
42	0N2	0.477273	0.805195
43	AZD	0.475	0.792208
44	MMF	0.47191	0.815789
45	0FX	0.47191	0.815789
46	UFP	0.464789	0.786667
47	2DT	0.463768	0.833333
48	QDM	0.461538	0.805195
49	BRU	0.458333	0.786667
50	JHZ	0.456522	0.794872
51	AKM	0.456522	0.775
52	FNF	0.456522	0.826667
53	1YF	0.456522	0.826667
54	5IU	0.452055	0.786667
55	3DR DT DT DT DT DT	0.451613	0.835616
56	4TG	0.451613	0.826667
57	BVP	0.435897	0.821918
58	T5A	0.431373	0.756098
59	TMC	0.426471	0.882353
60	ABT	0.425287	0.772152
61	DCZ	0.424242	0.880597
62	LDC	0.424242	0.880597
63	FUH	0.42	0.815789
64	QUH	0.42	0.815789
65	4TA	0.419048	0.743902
66	D3T	0.417722	0.847222
67	DT ME6 DT	0.415842	0.802632
68	5MD	0.411765	0.953125
69	DPB	0.407407	0.783784
70	TPE	0.406593	0.802632
71	5BT	0.405797	0.84507
72	B86	0.405797	0.84507
73	ADS THS THS THS	0.40367	0.738095

Ligand no: 3; Ligand: TYD; Similar ligands found: 91

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	TYD	1	1
2	TTP	0.884058	1
3	TMP	0.80597	0.985714
4	TLO	0.716049	0.945205
5	TTP MG	0.701299	0.943662
6	DAU	0.694118	0.932432
7	9RC	0.686747	0.829268
8	1JB	0.682353	0.932432
9	TRH	0.682353	0.932432
10	18T	0.682353	0.932432
11	3R2	0.682353	0.92
12	TDX	0.682353	0.945205
13	ATY	0.670886	0.945205
14	T3Q	0.666667	0.907895
15	DWN	0.666667	0.907895
16	3YN	0.666667	0.932432
17	T3F	0.666667	0.907895
18	TBD	0.662338	0.958904
19	T46	0.659091	0.932432
20	0N2	0.659091	0.896104
21	AZD	0.654321	0.907895
22	MMF	0.651685	0.907895
23	0FX	0.651685	0.907895
24	THM	0.641791	0.873239
25	LLT	0.641791	0.873239
26	QDM	0.637363	0.896104
27	JHZ	0.630435	0.884615
28	AKM	0.630435	0.886076
29	FNF	0.630435	0.92
30	1YF	0.630435	0.92
31	4TG	0.623656	0.92
32	DUD	0.61039	0.957143
33	0DN	0.6	0.833333
34	UFP	0.6	0.905405
35	QUH	0.58	0.907895
36	FUH	0.58	0.907895
37	T5A	0.572816	0.841463
38	BRU	0.571429	0.905405
39	5HU	0.571429	0.971831
40	FDM	0.564103	0.918919
41	5IU	0.564103	0.905405
42	NYM	0.564103	0.958333
43	T3P	0.56	0.943662
44	THP	0.556962	0.971429
45	ATM	0.542169	0.894737
46	D3T	0.542169	0.971831
47	DUT	0.542169	0.957143
48	3DR DT DT DT DT DT	0.540816	0.905405
49	TXS	0.538462	0.789474
50	YYY	0.536585	0.891892
51	T3S	0.525	0.789474
52	BVP	0.52381	0.944444
53	ABT	0.521739	0.884615
54	D4D	0.506024	0.928571
55	TQP	0.504274	0.864198
56	7SG	0.504274	0.864198
57	2DT	0.5	0.957747
58	T4K	0.5	0.853659
59	DT ME6 DT	0.5	0.87013
60	T5K	0.5	0.853659
61	TPE	0.5	0.894737
62	4TA	0.486486	0.807229
63	DCP	0.477273	0.891892
64	8DD	0.473118	0.8125
65	UMP	0.469136	0.942857
66	AZZ	0.469136	0.779221
67	DU	0.469136	0.942857
68	8GD	0.467391	0.829268
69	5CM	0.458824	0.918919
70	F6G	0.455556	0.855263
71	WMJ	0.452632	0.761905
72	D4T	0.449438	0.928571
73	DUP	0.449438	0.930556
74	6U4	0.447917	0.848101
75	ADS THS THS THS	0.444444	0.758621
76	DDN	0.439024	0.942857
77	3DT	0.428571	0.835616
78	UC5	0.425287	0.943662
79	ID2	0.423077	0.8
80	DT MA7 DT	0.420635	0.797619
81	8DG	0.418367	0.829268
82	DUT MG	0.417582	0.901408
83	DUN	0.41573	0.930556
84	O5W	0.411765	0.821429
85	5GW	0.410526	0.878378
86	DCM	0.406977	0.878378
87	DC	0.406977	0.878378
88	BUP	0.402174	0.842105
89	74X	0.4	0.732558
90	D4M	0.4	0.914286
91	74W	0.4	0.732558

Similar Ligands (3D)

Ligand no: 1; Ligand: TDR; Similar ligands found: 1092

No:	Ligand	Similarity coefficient
1	275	1.0000
2	PYD	1.0000
3	ICP	1.0000
4	2MP	1.0000
5	34A	1.0000
6	XYD	1.0000
7	1MC	1.0000
8	MCT	1.0000
9	43M	1.0000
10	TH0	1.0000
11	2AC	1.0000
12	MWM	0.9999
13	A1U	0.9999
14	XBZ	0.9999
15	4HO	0.9992
16	4ZE	0.9990
17	4JO	0.9985
18	5MH	0.9962
19	LXC	0.9961
20	XYP	0.9949
21	MZG	0.9942
22	JZ2	0.9940
23	4JJ	0.9928
24	2YU	0.9928
25	4CL	0.9922
26	MWJ	0.9886
27	TM7	0.9881
28	TLD	0.9878
29	HT4	0.9877
30	BR9	0.9874
31	27Y	0.9860
32	5JC	0.9856
33	FPY	0.9844
34	4JU	0.9842
35	IDH	0.9809
36	RSF	0.9801
37	3ZQ	0.9798
38	AHR	0.9774
39	4XR	0.9768
40	ZZT	0.9765
41	OXE	0.9749
42	2MH	0.9745
43	URA	0.9737
44	8H8	0.9729
45	XYS	0.9728
46	RCO	0.9726
47	Y8I	0.9722
48	NSP	0.9714
49	40O	0.9714
50	LG3	0.9711
51	CYT	0.9711
52	RIP	0.9706
53	26D	0.9704
54	PCR	0.9701
55	HMH	0.9699
56	PXY	0.9699
57	25R	0.9696
58	3CH	0.9695
59	NK	0.9693
60	24B	0.9693
61	CAQ	0.9687
62	HQE	0.9687
63	L89	0.9682
64	92Z	0.9680
65	CRS	0.9680
66	HTS	0.9678
67	LG5	0.9674
68	1AN	0.9673
69	JZ0	0.9670
70	938	0.9670
71	284	0.9669
72	2AF	0.9668
73	BEW	0.9668
74	LG4	0.9667
75	1PT	0.9665
76	FP2	0.9664
77	76X	0.9663
78	8LG	0.9662
79	93Q	0.9662
80	2CH	0.9661
81	JZ3	0.9661
82	0R1	0.9657
83	285	0.9657
84	PLQ	0.9650
85	4JP	0.9649
86	DUC	0.9649
87	4HS	0.9648
88	0MK	0.9648
89	GVH	0.9644
90	IND	0.9638
91	LZ1	0.9635
92	MPI	0.9635
93	DEN	0.9633
94	4CH	0.9633
95	1WG	0.9632
96	BZI	0.9630
97	6X8	0.9630
98	4XX	0.9629
99	BZF	0.9627
100	150	0.9623
101	FPN	0.9623
102	BML	0.9620
103	1DW	0.9619
104	BVF	0.9617
105	8GF	0.9617
106	0CT	0.9615
107	2CQ	0.9615
108	DA1	0.9613
109	FUL	0.9612
110	3Z7	0.9611
111	HPA	0.9609
112	0TR	0.9609
113	JIF	0.9605
114	JFD	0.9603
115	YAN	0.9601
116	7CZ	0.9600
117	ADE	0.9598
118	HMU	0.9594
119	FUC	0.9591
120	10L	0.9584
121	F05	0.9582
122	DFU	0.9575
123	7HP	0.9574
124	BZX	0.9572
125	7WA	0.9565
126	6AI	0.9561
127	9DA	0.9560
128	45C	0.9557
129	ARB	0.9557
130	TH7	0.9556
131	FPI	0.9554
132	4JN	0.9553
133	PYG	0.9552
134	0R0	0.9551
135	IOL	0.9550
136	TMT	0.9549
137	6MP	0.9548
138	HAI	0.9545
139	282	0.9544
140	9HX	0.9543
141	CYH	0.9542
142	J1Z	0.9541
143	MBD	0.9539
144	HPY	0.9536
145	3MC	0.9535
146	5MB	0.9531
147	2K4	0.9527
148	25W	0.9527
149	F81	0.9526
150	F4Z	0.9526
151	TMZ	0.9525
152	F60	0.9515
153	9EW	0.9515
154	HBA	0.9515
155	5MI	0.9513
156	CIG	0.9512
157	IDM	0.9511
158	23A	0.9511
159	H3M	0.9508
160	ES4	0.9506
161	BTE	0.9504
162	ES9	0.9503
163	PM6	0.9502
164	T6C	0.9500
165	HX3	0.9500
166	AMC	0.9500
167	14O	0.9499
168	7MH	0.9498
169	TC7	0.9494
170	5H1	0.9493
171	GLC	0.9491
172	ECE	0.9488
173	11S	0.9485
174	ADZ	0.9483
175	FK1	0.9483
176	CXL	0.9482
177	0RW	0.9479
178	FFP	0.9474
179	GMN	0.9474
180	270	0.9473
181	V1L	0.9473
182	3FA	0.9472
183	ABE	0.9470
184	FCA	0.9470
185	HBX	0.9469
186	PHB	0.9469
187	M3T	0.9468
188	KOJ	0.9468
189	DFB	0.9465
190	286	0.9463
191	JAE	0.9462
192	3CE	0.9460
193	BP1	0.9459
194	2C9	0.9458
195	M1A	0.9456
196	AX7	0.9456
197	TM4	0.9454
198	OXQ	0.9454
199	H4N	0.9453
200	B3R	0.9453
201	4H2	0.9450
202	1XX	0.9450
203	JZ1	0.9450
204	G6D	0.9450
205	SAL	0.9448
206	2MY	0.9443
207	XXR	0.9441
208	JZ9	0.9440
209	4ZC	0.9436
210	HEW	0.9436
211	FLM	0.9435
212	QUZ	0.9434
213	XQ0	0.9434
214	YCP	0.9428
215	2CM	0.9424
216	ES0	0.9419
217	P92	0.9418
218	8NY	0.9415
219	SYN	0.9415
220	2MI	0.9413
221	5NU	0.9412
222	7W4	0.9411
223	HGQ	0.9410
224	BEZ	0.9410
225	SVN	0.9409
226	NPY	0.9408
227	HY3	0.9408
228	ISN	0.9407
229	B53	0.9406
230	MLT	0.9406
231	3XX	0.9405
232	PY7	0.9404
233	ABN	0.9403
234	IPH	0.9400
235	PYF	0.9399
236	7B4	0.9399
237	Q88	0.9398
238	CWM	0.9398
239	HLR	0.9398
240	6UA	0.9397
241	6MH	0.9396
242	ICC	0.9395
243	NBE	0.9393
244	9DG	0.9393
245	67N	0.9392
246	KKN	0.9390
247	RIB	0.9390
248	AX2	0.9388
249	F5B	0.9385
250	6M4	0.9384
251	GBD	0.9377
252	5AN	0.9375
253	NOJ	0.9374
254	64K	0.9374
255	6M9	0.9373
256	ABV	0.9372
257	MAK	0.9371
258	BEN	0.9371
259	6HQ	0.9371
260	LMR	0.9370
261	A2Q	0.9367
262	A2F	0.9366
263	5WV	0.9364
264	QOS	0.9363
265	AZG	0.9361
266	35C	0.9360
267	1SQ	0.9358
268	6AP	0.9358
269	GUN	0.9358
270	BAM	0.9358
271	DBH	0.9357
272	6PC	0.9357
273	3HA	0.9355
274	3F0	0.9352
275	4VP	0.9352
276	ES7	0.9351
277	BOA	0.9350
278	FUF	0.9349
279	FE DB1	0.9348
280	KIV	0.9347
281	HIU	0.9346
282	NBZ	0.9345
283	3M0	0.9344
284	1NP	0.9343
285	1XM	0.9343
286	9PO	0.9343
287	GAG	0.9342
288	FOA	0.9342
289	YHO	0.9342
290	2IM	0.9342
291	DUB	0.9340
292	HQY	0.9338
293	3DM	0.9337
294	HHQ	0.9337
295	MBN	0.9337
296	5SG	0.9336
297	PYC	0.9336
298	BGC	0.9336
299	5Q0	0.9335
300	5IQ	0.9335
301	NCA	0.9334
302	3AP	0.9334
303	F0J	0.9331
304	DMD	0.9331
305	141	0.9330
306	2AP	0.9329
307	24W	0.9329
308	AZA	0.9328
309	WOT	0.9328
310	2A9	0.9328
311	4AP	0.9327
312	23W	0.9327
313	XM0	0.9326
314	3U4	0.9324
315	4YS	0.9323
316	HRZ	0.9323
317	IFM	0.9323
318	PRO	0.9322
319	JPZ	0.9321
320	XAN	0.9320
321	4M4	0.9320
322	C2B	0.9320
323	1LQ	0.9319
324	PZA	0.9319
325	BE2	0.9318
326	ES1	0.9316
327	3MH	0.9316
328	H8N	0.9316
329	IGA	0.9315
330	VGL	0.9314
331	CFP	0.9313
332	QWN	0.9313
333	BR8	0.9313
334	290	0.9312
335	5AC	0.9310
336	1LM	0.9309
337	4JL	0.9309
338	TBP	0.9308
339	R8A	0.9307
340	HVK	0.9306
341	1MR	0.9305
342	LGA	0.9304
343	AZF	0.9303
344	YH7	0.9302
345	N5J	0.9302
346	280	0.9301
347	EXO	0.9301
348	YTB	0.9299
349	ADK	0.9298
350	3RK	0.9296
351	3ID	0.9295
352	2PC	0.9295
353	VAL	0.9295
354	3AY	0.9294
355	265	0.9294
356	7EX	0.9293
357	5CU	0.9292
358	NIO	0.9291
359	JBH	0.9290
360	DX4	0.9290
361	NEQ	0.9290
362	13X	0.9290
363	MB3	0.9290
364	25T	0.9286
365	2DR	0.9286
366	9X7	0.9285
367	ES6	0.9284
368	8GC	0.9283
369	RAM	0.9282
370	2CK	0.9280
371	4SV	0.9279
372	5ZE	0.9277
373	TZC	0.9276
374	GYE	0.9276
375	RM4	0.9274
376	V55	0.9273
377	BE7	0.9272
378	1DH	0.9272
379	NOY	0.9272
380	2KT	0.9271
381	SOE	0.9271
382	2D0	0.9270
383	FBA	0.9270
384	WDL	0.9270
385	DTL	0.9269
386	UNU	0.9268
387	ARA	0.9268
388	KSW	0.9265
389	HH5	0.9263
390	DOB	0.9263
391	QXW	0.9262
392	SWD	0.9262
393	GXE	0.9262
394	60P	0.9260
395	IFL	0.9257
396	DGY	0.9256
397	G2F	0.9254
398	G3F	0.9254
399	BCP	0.9252
400	PCA	0.9252
401	4CS	0.9251
402	DGJ	0.9249
403	APY	0.9249
404	DMG	0.9249
405	OXZ	0.9248
406	OHG	0.9248
407	FA0	0.9247
408	JAB	0.9246
409	03V	0.9245
410	GCS	0.9244
411	DSN	0.9242
412	BHA	0.9241
413	5RG	0.9241
414	4NC	0.9241
415	1P7	0.9240
416	JB5	0.9239
417	RNS	0.9239
418	BHO	0.9238
419	COU	0.9237
420	L3Q	0.9237
421	C2A	0.9234
422	DTI	0.9232
423	ET2	0.9230
424	CEJ	0.9230
425	OAA	0.9230
426	HH8	0.9229
427	6CS	0.9229
428	4M0	0.9228
429	2A7	0.9228
430	S76	0.9228
431	36R	0.9227
432	R2B	0.9227
433	MNM	0.9227
434	EQT	0.9226
435	2ZX	0.9223
436	NTN	0.9222
437	94N	0.9220
438	0CU	0.9220
439	NMJ	0.9220
440	VNJ	0.9220
441	4XH	0.9219
442	8CL	0.9217
443	2AQ	0.9215
444	3PY	0.9215
445	5VM	0.9215
446	GIO	0.9215
447	TP5	0.9213
448	KG7	0.9211
449	G4D	0.9210
450	JBE	0.9208
451	RSO	0.9207
452	CLW	0.9206
453	GAL	0.9204
454	DXX	0.9203
455	VGD	0.9202
456	3MA	0.9202
457	JBN	0.9202
458	1WD	0.9200
459	4FS	0.9200
460	L60	0.9200
461	FCB	0.9197
462	DHB	0.9197
463	URQ	0.9197
464	ERH	0.9196
465	SER	0.9195
466	24T	0.9193
467	ISE	0.9193
468	ES5	0.9192
469	P3K	0.9191
470	MMZ	0.9191
471	3AB	0.9191
472	MLI	0.9191
473	IT2	0.9191
474	47J	0.9190
475	SS1	0.9190
476	82I	0.9189
477	4HM	0.9189
478	MZ0	0.9189
479	H42	0.9186
480	CYS	0.9185
481	1P8	0.9184
482	SMV	0.9184
483	GOO	0.9182
484	KYD	0.9181
485	NPO	0.9180
486	1XN	0.9179
487	8S0	0.9179
488	C5J	0.9178
489	MLA	0.9175
490	MFB	0.9174
491	UEG	0.9174
492	LDU	0.9173
493	1DU	0.9173
494	9TZ	0.9172
495	AC0	0.9172
496	FDB	0.9170
497	ASO	0.9170
498	3SK	0.9170
499	OCH	0.9168
500	2ZV	0.9168
501	5B1	0.9167
502	JKE	0.9167
503	HYN	0.9167
504	HHN	0.9165
505	XBT	0.9165
506	3NT	0.9164
507	4JM	0.9164
508	DAB	0.9163
509	HHA	0.9160
510	GTQ	0.9159
511	URC	0.9159
512	XIX	0.9158
513	B55	0.9157
514	FLA	0.9155
515	P9P	0.9154
516	5M0	0.9153
517	9CL	0.9152
518	GAB	0.9151
519	7HQ	0.9150
520	54D	0.9149
521	MYJ	0.9149
522	7WV	0.9146
523	5HN	0.9145
524	QSC	0.9145
525	PYJ	0.9145
526	9TY	0.9145
527	XX2	0.9141
528	IPB	0.9141
529	DTU	0.9139
530	14J	0.9138
531	I3A	0.9136
532	TTO	0.9136
533	3HB	0.9135
534	7VJ	0.9135
535	E60	0.9134
536	BTY	0.9133
537	INS	0.9132
538	8TX	0.9131
539	TFB	0.9130
540	2HO	0.9129
541	DMI	0.9129
542	FAN	0.9127
543	INO	0.9125
544	3DO	0.9123
545	53C	0.9123
546	EUG	0.9120
547	3HM	0.9120
548	273	0.9119
549	260	0.9118
550	6F0	0.9118
551	M58	0.9117
552	FHB	0.9117
553	PAF	0.9117
554	JLZ	0.9116
555	2FG	0.9115
556	5JQ	0.9114
557	R8S	0.9113
558	URP	0.9113
559	2XX	0.9112
560	93B	0.9110
561	PBC	0.9109
562	1AB	0.9108
563	BP9	0.9108
564	MRY	0.9108
565	HSL	0.9108
566	ES2	0.9107
567	12M	0.9107
568	RP7	0.9106
569	C21	0.9106
570	FPK	0.9105
571	93K	0.9101
572	MZW	0.9101
573	54G	0.9100
574	O7U	0.9099
575	75K	0.9098
576	6GU	0.9098
577	717	0.9096
578	NNO	0.9094
579	4A3	0.9092
580	LZM	0.9092
581	CRN	0.9092
582	EDG	0.9090
583	4AX	0.9090
584	ALO	0.9089
585	278	0.9089
586	OVV	0.9088
587	IF7	0.9085
588	GRE	0.9083
589	LCN	0.9083
590	0P6	0.9081
591	HGW	0.9081
592	LRH	0.9080
593	TAR	0.9080
594	Z82	0.9078
595	K2T	0.9077
596	2H5	0.9077
597	MR1	0.9074
598	FBB	0.9073
599	KT7	0.9072
600	WCE	0.9070
601	42A	0.9070
602	ALL	0.9070
603	5JL	0.9068
604	SEJ	0.9068
605	3BZ	0.9066
606	JBK	0.9066
607	ASN	0.9066
608	PXL	0.9065
609	BRT	0.9063
610	5MK	0.9058
611	RM1	0.9058
612	NVI	0.9056
613	ITN	0.9054
614	HSE	0.9054
615	B24	0.9053
616	CHB	0.9052
617	5XC	0.9052
618	RHU	0.9052
619	VNL	0.9052
620	CIZ	0.9052
621	B57	0.9051
622	PIH	0.9050
623	QSB	0.9050
624	261	0.9050
625	M2H	0.9047
626	GXY	0.9047
627	SX1	0.9046
628	PAB	0.9046
629	149	0.9046
630	IP0	0.9045
631	2EC	0.9045
632	6M1	0.9045
633	8CM	0.9042
634	ASP	0.9042
635	GLU	0.9042
636	AGK	0.9040
637	FQI	0.9038
638	8IG	0.9037
639	5CL	0.9037
640	WOO	0.9037
641	MAE	0.9036
642	FP1	0.9035
643	86J	0.9031
644	PE0	0.9031
645	XAZ	0.9031
646	GLA	0.9031
647	5OB	0.9030
648	9TW	0.9028
649	3OC	0.9028
650	0W8	0.9027
651	1Y6	0.9023
652	CWS	0.9022
653	AZ8	0.9022
654	RUU	0.9022
655	GIF	0.9019
656	KUF	0.9017
657	NIZ	0.9016
658	XQG	0.9013
659	Q24	0.9012
660	THR	0.9012
661	9MG	0.9011
662	HBD	0.9011
663	1P3	0.9011
664	Z6J	0.9010
665	DPR	0.9010
666	TCZ	0.9007
667	LGC	0.9007
668	FOT	0.9006
669	BSX	0.9005
670	XUL	0.9005
671	O72	0.9004
672	PBZ	0.9004
673	H76	0.9002
674	KJY	0.9001
675	ABA	0.8997
676	R1X	0.8996
677	BZ3	0.8994
678	6LW	0.8994
679	GIV	0.8994
680	R8V	0.8993
681	4AA	0.8992
682	MAN	0.8990
683	39A	0.8990
684	PXM	0.8990
685	UNC	0.8989
686	QBK	0.8989
687	X6X	0.8988
688	MSN	0.8988
689	8WO	0.8986
690	PRS	0.8982
691	4PW	0.8980
692	EKZ	0.8979
693	MBG	0.8979
694	7WG	0.8978
695	MEW	0.8975
696	AQO	0.8975
697	A7W	0.8972
698	HFB	0.8971
699	OXC	0.8970
700	ICF	0.8970
701	IMR	0.8970
702	SS2	0.8970
703	IHB	0.8970
704	GXL	0.8969
705	ZBT	0.8969
706	M5K	0.8968
707	FUB	0.8968
708	QX2	0.8966
709	M6N	0.8966
710	7W1	0.8964
711	DIE	0.8964
712	174	0.8964
713	ORO	0.8963
714	HJP	0.8963
715	CXF	0.8962
716	1GN	0.8961
717	BVC	0.8960
718	QWW	0.8959
719	PA1	0.8959
720	GAF	0.8957
721	UGC	0.8953
722	MRW	0.8952
723	VOH	0.8952
724	ISZ	0.8951
725	4MA	0.8948
726	KPL	0.8948
727	JFJ	0.8947
728	3WA	0.8945
729	P2D	0.8944
730	5QX	0.8943
731	LER	0.8943
732	DHK	0.8941
733	DMJ	0.8940
734	XIY	0.8940
735	BMA	0.8940
736	SRT	0.8940
737	F9Y	0.8939
738	FRU	0.8939
739	AC6	0.8934
740	UY7	0.8932
741	4HC	0.8930
742	LDP	0.8928
743	XRG	0.8925
744	192	0.8925
745	PZI	0.8923
746	G5V	0.8922
747	32X	0.8920
748	KIB	0.8920
749	4JT	0.8920
750	SWA	0.8918
751	E7Z	0.8916
752	BCF	0.8916
753	826	0.8915
754	1M2	0.8915
755	SW7	0.8914
756	ZZ3	0.8914
757	3V4	0.8913
758	DIN	0.8912
759	PEA	0.8911
760	YIO	0.8910
761	C2U	0.8909
762	IJZ	0.8907
763	BVG	0.8907
764	BDP	0.8907
765	TTL	0.8907
766	HUI	0.8906
767	NXA	0.8905
768	KJH	0.8903
769	3Z8	0.8903
770	1LN	0.8903
771	P72	0.8902
772	CGB	0.8902
773	HZQ	0.8901
774	AJ2	0.8901
775	BBF	0.8900
776	12Q	0.8900
777	4FA	0.8894
778	JBQ	0.8893
779	ILE	0.8891
780	BNS	0.8891
781	DIU	0.8889
782	40E	0.8889
783	1AC	0.8889
784	2HQ	0.8888
785	AUD	0.8888
786	SIN	0.8887
787	DAS	0.8887
788	JZ5	0.8884
789	DQN	0.8883
790	J9W	0.8883
791	2LP	0.8883
792	M1Q	0.8883
793	PZM	0.8882
794	JZ4	0.8882
795	TLA	0.8881
796	PBE	0.8881
797	HQT	0.8880
798	DOR	0.8878
799	HYP	0.8877
800	F3B	0.8874
801	HIO	0.8874
802	8WT	0.8873
803	DHQ	0.8873
804	MO8	0.8870
805	3SL	0.8869
806	1DQ	0.8865
807	SJ5	0.8864
808	SHG	0.8863
809	HVQ	0.8863
810	IV2	0.8861
811	495	0.8860
812	G3E	0.8859
813	32O	0.8857
814	5RN	0.8857
815	34D	0.8856
816	NDM	0.8856
817	MT0	0.8853
818	SKA	0.8853
819	1DV	0.8853
820	UYA	0.8852
821	KBG	0.8850
822	IBF	0.8848
823	CFI	0.8848
824	AW5	0.8846
825	FBM	0.8846
826	TEO	0.8844
827	D1X	0.8841
828	9YL	0.8839
829	69O	0.8838
830	M1E	0.8838
831	GDE	0.8837
832	HIS	0.8837
833	2RA	0.8836
834	AFR	0.8831
835	AAE	0.8830
836	PRY	0.8830
837	7NI	0.8830
838	A3B	0.8829
839	DBB	0.8829
840	4Z4	0.8826
841	DYA	0.8825
842	MRZ	0.8824
843	EA1	0.8823
844	HZP	0.8823
845	FDK	0.8822
846	PFB	0.8822
847	5WX	0.8821
848	DRL	0.8821
849	F31	0.8820
850	IPZ	0.8818
851	ARW	0.8817
852	5QY	0.8817
853	Q6T	0.8815
854	DCY	0.8815
855	42J	0.8815
856	BDF	0.8813
857	JZ7	0.8811
858	3MT	0.8811
859	OK7	0.8810
860	3PF	0.8810
861	AKB	0.8809
862	SYV	0.8808
863	7N0	0.8808
864	K5W	0.8807
865	LYL	0.8806
866	MQN	0.8806
867	2MN	0.8805
868	TEP	0.8804
869	MWP	0.8804
870	TIU	0.8804
871	JA8	0.8803
872	A65	0.8803
873	RB5	0.8803
874	8EZ	0.8802
875	6RQ	0.8802
876	PEP	0.8801
877	LT2	0.8800
878	OXL	0.8798
879	PCI	0.8797
880	MUA	0.8792
881	CTL	0.8792
882	LKA	0.8787
883	HXX	0.8786
884	51F	0.8786
885	IFP	0.8784
886	2BG	0.8784
887	PEL	0.8784
888	OXM	0.8784
889	ZXD	0.8782
890	SKM	0.8781
891	SHA	0.8780
892	PKU	0.8779
893	4YO	0.8777
894	SPV	0.8777
895	FBV	0.8776
896	I1N	0.8775
897	M0Q	0.8774
898	CEE	0.8773
899	ODV	0.8773
900	95Z	0.8770
901	HY1	0.8769
902	173	0.8766
903	OVM	0.8765
904	BAQ	0.8764
905	TPA	0.8763
906	XHP	0.8761
907	3FH	0.8761
908	3IT	0.8760
909	42C	0.8758
910	GLF	0.8758
911	F9P	0.8755
912	X0V	0.8755
913	7MU	0.8754
914	FH2	0.8753
915	4P5	0.8752
916	IQ0	0.8751
917	4JQ	0.8750
918	SE2	0.8750
919	948	0.8750
920	AMT	0.8750
921	37T	0.8748
922	5RO	0.8748
923	7VS	0.8745
924	HLZ	0.8745
925	0TU	0.8745
926	FA1	0.8744
927	DBJ	0.8743
928	AKH	0.8741
929	CN0	0.8741
930	NTM	0.8740
931	TZE	0.8739
932	2AL	0.8738
933	OXD	0.8737
934	0JD	0.8737
935	QSH	0.8736
936	KP6	0.8735
937	PYR	0.8735
938	M2K	0.8733
939	XLS	0.8730
940	FB1	0.8730
941	J5I	0.8729
942	D48	0.8729
943	DBX	0.8728
944	NVA	0.8725
945	51R	0.8725
946	T2C	0.8723
947	94B	0.8722
948	1U6	0.8721
949	PAV	0.8720
950	PRF	0.8718
951	1CB	0.8717
952	ASC	0.8714
953	BAE	0.8713
954	HCS	0.8713
955	CP	0.8713
956	HSM	0.8712
957	YRL	0.8710
958	PNZ	0.8709
959	8ZE	0.8706
960	44W	0.8704
961	ATQ	0.8702
962	EV0	0.8701
963	PYQ	0.8701
964	ICO	0.8701
965	TSU	0.8699
966	FBT	0.8698
967	PQ0	0.8697
968	TFU	0.8697
969	EYK	0.8696
970	SR1	0.8696
971	B62	0.8694
972	FGZ	0.8693
973	AEF	0.8690
974	OTW	0.8690
975	PHT	0.8687
976	4XV	0.8687
977	KLW	0.8684
978	PHU	0.8684
979	GLL	0.8684
980	RMN	0.8683
981	B60	0.8682
982	6KX	0.8680
983	3TR	0.8680
984	DQU	0.8679
985	LSA	0.8677
986	I2M	0.8675
987	2PG	0.8674
988	DHR	0.8672
989	N8P	0.8672
990	4MZ	0.8670
991	GLT	0.8669
992	1MZ	0.8668
993	AZ9	0.8667
994	PAC	0.8667
995	PAE	0.8664
996	FB2	0.8663
997	0FO	0.8663
998	680	0.8662
999	PMB	0.8662
1000	4NM	0.8661
1001	XYL	0.8660
1002	MET	0.8660
1003	D07	0.8652
1004	MAQ	0.8652
1005	98J	0.8652
1006	HDA	0.8651
1007	DHS	0.8648
1008	4XS	0.8647
1009	2AI	0.8647
1010	2AK	0.8646
1011	XCZ	0.8644
1012	VK3	0.8641
1013	GBL	0.8641
1014	LFR	0.8641
1015	DIG	0.8639
1016	TMH	0.8639
1017	2FY	0.8638
1018	ANN	0.8638
1019	YSO	0.8637
1020	HOW	0.8637
1021	GJS	0.8636
1022	NQ	0.8635
1023	GM7	0.8633
1024	HGY	0.8633
1025	12B	0.8632
1026	N7P	0.8632
1027	SN4	0.8631
1028	PRZ	0.8630
1029	GCB	0.8628
1030	HQD	0.8626
1031	RBL	0.8626
1032	MR3	0.8624
1033	BUO	0.8622
1034	BEA	0.8622
1035	JXN	0.8622
1036	SFU	0.8620
1037	ZWZ	0.8618
1038	ODO	0.8617
1039	MZB	0.8616
1040	KJU	0.8614
1041	COI	0.8613
1042	92K	0.8612
1043	271	0.8611
1044	MFU	0.8610
1045	MVN	0.8609
1046	FBW	0.8609
1047	CTS	0.8606
1048	PYM	0.8605
1049	QY9	0.8603
1050	KMT	0.8603
1051	SF9	0.8602
1052	2EZ	0.8601
1053	0HO	0.8601
1054	B20	0.8601
1055	2MZ	0.8600
1056	QAT	0.8599
1057	FCR	0.8599
1058	SVD	0.8599
1059	NDH	0.8599
1060	G1O	0.8598
1061	4FH	0.8598
1062	SXS	0.8597
1063	8OZ	0.8596
1064	JND	0.8594
1065	AC5	0.8594
1066	N2I	0.8591
1067	RXA	0.8587
1068	MXN	0.8587
1069	4ZA	0.8586
1070	OW4	0.8586
1071	A13	0.8582
1072	LNR	0.8581
1073	44V	0.8580
1074	KBB	0.8574
1075	H7Y	0.8571
1076	259	0.8570
1077	5DI	0.8568
1078	4WL	0.8567
1079	KDV	0.8566
1080	TBS	0.8566
1081	5Y9	0.8562
1082	EOL	0.8562
1083	5GU	0.8560
1084	0HN	0.8556
1085	APZ	0.8551
1086	TWO	0.8551
1087	INE	0.8547
1088	K17	0.8538
1089	JUG	0.8538
1090	PBR	0.8535
1091	IOM	0.8529
1092	QAS	0.8527

Ligand no: 2; Ligand: THM; Similar ligands found: 804

No:	Ligand	Similarity coefficient
1	SCT	0.9841
2	F01	0.9801
3	THU	0.9781
4	5UD	0.9722
5	MDR	0.9713
6	3D1	0.9711
7	AHU	0.9703
8	CTN	0.9628
9	URD	0.9591
10	DDU	0.9565
11	URI	0.9562
12	CL9	0.9557
13	ADN	0.9541
14	RAB	0.9531
15	TBN	0.9531
16	5AE	0.9530
17	AR3	0.9519
18	GNG	0.9518
19	2FD	0.9516
20	NOS	0.9508
21	5N5	0.9506
22	A	0.9502
23	1DA	0.9500
24	FMC	0.9490
25	CTD	0.9488
26	5FD	0.9484
27	9DI	0.9483
28	FMB	0.9469
29	2TU	0.9464
30	PUR	0.9463
31	PRH	0.9463
32	HPR	0.9463
33	UA2	0.9460
34	IMH	0.9456
35	3BH	0.9440
36	2FA	0.9419
37	TYU	0.9417
38	I5A	0.9412
39	GMP	0.9408
40	GEO	0.9405
41	5AD	0.9401
42	UUA	0.9382
43	DHZ	0.9380
44	DNB	0.9379
45	5NB	0.9368
46	ZEB	0.9364
47	IMG	0.9358
48	AD3	0.9355
49	ZYV	0.9355
50	W29	0.9352
51	3RP	0.9345
52	RBV	0.9345
53	TAL	0.9336
54	7D7	0.9335
55	RFZ	0.9324
56	8HG	0.9319
57	CDY	0.9315
58	A4D	0.9314
59	5CD	0.9311
60	DCF	0.9300
61	3AD	0.9298
62	NWW	0.9292
63	FWD	0.9290
64	RPP	0.9281
65	6MD	0.9280
66	H7S	0.9269
67	5ID	0.9264
68	FTU	0.9262
69	MTI	0.9262
70	4MP	0.9259
71	MTM	0.9252
72	EKH	0.9250
73	CFE	0.9249
74	ANU	0.9249
75	PIR	0.9242
76	5JT	0.9236
77	BRD	0.9230
78	3L1	0.9228
79	TIZ	0.9227
80	ZYW	0.9227
81	YOF	0.9217
82	DAH	0.9216
83	1ZC	0.9214
84	9UL	0.9212
85	DBM	0.9211
86	FM1	0.9210
87	MTH	0.9209
88	MTA	0.9209
89	MTP	0.9208
90	IYR	0.9208
91	NNR	0.9208
92	28B	0.9204
93	II4	0.9202
94	CWD	0.9201
95	FM2	0.9199
96	CNI	0.9197
97	8OX	0.9197
98	XYA	0.9195
99	TIA	0.9193
100	M02	0.9185
101	JFS	0.9180
102	JWS	0.9179
103	JA3	0.9179
104	TRP	0.9179
105	DTR	0.9170
106	JY4	0.9163
107	EXR	0.9162
108	LTN	0.9159
109	L5D	0.9158
110	Q4G	0.9153
111	IQQ	0.9153
112	CTE	0.9153
113	4UO	0.9139
114	K80	0.9139
115	BWD	0.9136
116	5V7	0.9134
117	KYN	0.9134
118	CC5	0.9134
119	P2L	0.9132
120	B2T	0.9132
121	LTT	0.9131
122	LL1	0.9129
123	X11	0.9127
124	8DA	0.9125
125	DNQ	0.9119
126	JGB	0.9119
127	NAL	0.9115
128	HVE	0.9111
129	3IL	0.9108
130	MMS	0.9101
131	2QU	0.9101
132	IWD	0.9100
133	S8D	0.9097
134	EZN	0.9092
135	69K	0.9090
136	D1Y	0.9089
137	TR7	0.9085
138	AMR	0.9083
139	5I5	0.9082
140	NIY	0.9079
141	WDW	0.9075
142	PQT	0.9071
143	MG7	0.9070
144	C0W	0.9069
145	TCC	0.9066
146	ZIQ	0.9063
147	3D8	0.9060
148	ITW	0.9058
149	2UD	0.9057
150	QMR	0.9057
151	MIL	0.9054
152	DBS	0.9053
153	9B3	0.9051
154	M5H	0.9050
155	4I5	0.9050
156	WOE	0.9049
157	A7K	0.9046
158	YF3	0.9044
159	0GA	0.9042
160	MXD	0.9041
161	SY4	0.9040
162	6J9	0.9040
163	C0H	0.9039
164	ENG	0.9034
165	MCF	0.9029
166	5F8	0.9028
167	DXK	0.9027
168	4OG	0.9024
169	NEU	0.9021
170	2P3	0.9021
171	MUK	0.9020
172	7AP	0.9018
173	MBY	0.9016
174	M01	0.9016
175	X2M	0.9016
176	PF1	0.9014
177	5E5	0.9013
178	4AB	0.9012
179	FPL	0.9012
180	HWD	0.9011
181	BIO	0.9007
182	B41	0.9007
183	4Z9	0.9005
184	ETV	0.9004
185	AUV	0.9002
186	GL6	0.8998
187	4GU	0.8998
188	RVE	0.8997
189	3SU	0.8996
190	1KN	0.8995
191	GA2	0.8993
192	WCU	0.8993
193	BP7	0.8992
194	OX2	0.8992
195	5FL	0.8989
196	WVV	0.8989
197	CMU	0.8988
198	EXL	0.8988
199	JMQ	0.8986
200	4G2	0.8986
201	MJ5	0.8985
202	C4E	0.8985
203	5TZ	0.8983
204	ZME	0.8982
205	26A	0.8981
206	1SF	0.8981
207	6DQ	0.8980
208	833	0.8979
209	HNK	0.8979
210	X48	0.8979
211	XTS	0.8977
212	6FB	0.8977
213	96Z	0.8976
214	1XS	0.8974
215	OCZ	0.8974
216	NE2	0.8972
217	1QP	0.8971
218	78U	0.8969
219	A4G	0.8968
220	AOJ	0.8967
221	M83	0.8966
222	KCH	0.8966
223	22L	0.8965
224	89J	0.8964
225	7MX	0.8963
226	S0G	0.8961
227	2KU	0.8961
228	MPU	0.8959
229	OA1	0.8959
230	IOP	0.8958
231	F2W	0.8956
232	ZSP	0.8953
233	XFE	0.8953
234	ACE TRP	0.8953
235	092	0.8951
236	1A7	0.8950
237	CH8	0.8949
238	EXX	0.8947
239	N1E	0.8947
240	SOV	0.8946
241	TI7	0.8946
242	KP2	0.8946
243	M3E	0.8945
244	TCL	0.8944
245	FC2	0.8943
246	B5A	0.8942
247	EAJ	0.8942
248	UKV	0.8940
249	6HP	0.8939
250	8UY	0.8939
251	DTE	0.8937
252	ZMG	0.8935
253	7CI	0.8934
254	0DF	0.8934
255	AVA	0.8933
256	2GQ	0.8933
257	CK2	0.8932
258	JP2	0.8931
259	JVQ	0.8930
260	PRL	0.8929
261	2QV	0.8928
262	YE6	0.8927
263	HRM	0.8926
264	ALN	0.8926
265	2GD	0.8926
266	EN1	0.8924
267	6ZW	0.8924
268	PIQ	0.8924
269	TO1	0.8923
270	BZE	0.8922
271	HO4	0.8922
272	CCV	0.8922
273	BZM	0.8920
274	Q2S	0.8918
275	XIF XYP	0.8917
276	XYP XIF	0.8917
277	848	0.8917
278	H4E	0.8915
279	61M	0.8911
280	BBY	0.8907
281	Q0K	0.8906
282	H70	0.8906
283	E0O	0.8904
284	5E4	0.8902
285	27M	0.8902
286	BQ2	0.8902
287	EAT	0.8900
288	6HO	0.8898
289	AVX	0.8897
290	N8M	0.8897
291	5F5	0.8893
292	9W5	0.8892
293	N2Y	0.8891
294	BGU	0.8891
295	FQX	0.8890
296	DTY	0.8889
297	TYR	0.8889
298	CLZ	0.8888
299	TJM	0.8887
300	MPK	0.8886
301	AZY	0.8885
302	1HP	0.8885
303	H4B	0.8884
304	HBI	0.8881
305	H2B	0.8881
306	S1D	0.8880
307	M2T	0.8876
308	VBC	0.8875
309	NVU	0.8874
310	JSX	0.8874
311	IOS	0.8873
312	X6P	0.8872
313	RQD	0.8870
314	2JX	0.8869
315	B4O	0.8869
316	4WF	0.8868
317	QMS	0.8868
318	F40	0.8866
319	LJ3	0.8863
320	88R	0.8862
321	FTV	0.8861
322	6MW	0.8861
323	A4N	0.8860
324	HDU	0.8860
325	BHS	0.8860
326	30G	0.8859
327	P4L	0.8859
328	1FL	0.8859
329	3TC	0.8858
330	0A1	0.8857
331	6QT	0.8856
332	EQA	0.8855
333	1Z6	0.8855
334	LJ4	0.8851
335	8U3	0.8850
336	51Y	0.8850
337	EYY	0.8847
338	G14	0.8847
339	2J5	0.8846
340	5GV	0.8846
341	2O6	0.8845
342	6DP	0.8843
343	363	0.8838
344	Y4L	0.8837
345	SBI	0.8835
346	PE2	0.8835
347	F16	0.8832
348	8OE	0.8829
349	7L4	0.8828
350	0FR	0.8827
351	JF8	0.8827
352	M78	0.8827
353	68A	0.8826
354	PCQ	0.8826
355	M3Q	0.8826
356	GNW	0.8824
357	C53	0.8824
358	DBQ	0.8823
359	G30	0.8823
360	FHC	0.8823
361	FB4	0.8821
362	4I8	0.8821
363	92O	0.8820
364	MR6	0.8819
365	8OB	0.8815
366	3IB	0.8813
367	1ER	0.8812
368	64C	0.8812
369	JYE	0.8812
370	3J8	0.8811
371	AP6	0.8810
372	EYJ	0.8809
373	W8G	0.8807
374	9FG	0.8806
375	BDJ	0.8806
376	LIP	0.8806
377	DE3	0.8805
378	FCD	0.8805
379	WV7	0.8804
380	4AU	0.8804
381	EGR	0.8803
382	2UZ	0.8802
383	NWD	0.8802
384	9BF	0.8802
385	DEW	0.8801
386	8XL	0.8799
387	IA2	0.8799
388	Q5M	0.8798
389	0XT	0.8798
390	2B4	0.8797
391	HHS	0.8797
392	38B	0.8796
393	92G	0.8795
394	AP4	0.8794
395	HNL	0.8793
396	G6P	0.8793
397	KMY	0.8793
398	7QV	0.8791
399	ANC	0.8791
400	EWG	0.8791
401	ID8	0.8789
402	FDR	0.8788
403	PH2	0.8787
404	ARP	0.8787
405	B21	0.8786
406	790	0.8784
407	CH9	0.8784
408	MP5	0.8783
409	9FH	0.8782
410	4NR	0.8780
411	RVD	0.8780
412	GRX	0.8780
413	TLG	0.8779
414	TCR	0.8778
415	8P3	0.8776
416	GAT	0.8774
417	0SY	0.8773
418	WS7	0.8773
419	BB4	0.8772
420	TB8	0.8772
421	BPY	0.8770
422	43F	0.8770
423	KTJ	0.8768
424	78Y	0.8768
425	103	0.8768
426	SGV	0.8768
427	VUP	0.8768
428	AWE	0.8767
429	8MO	0.8767
430	ACK	0.8767
431	TQU	0.8767
432	JXT	0.8765
433	TLM	0.8764
434	ZON	0.8761
435	XYP AHR	0.8761
436	6BL	0.8760
437	ZYR	0.8760
438	4R1	0.8760
439	N0Z	0.8759
440	LUM	0.8758
441	XYP XYP	0.8758
442	0XR	0.8758
443	QBT	0.8758
444	XYP XDN	0.8758
445	IDZ	0.8757
446	BZJ	0.8757
447	XDK	0.8756
448	WSD	0.8756
449	XDN XYP	0.8756
450	BG6	0.8755
451	16Z	0.8755
452	FMQ	0.8755
453	3VW	0.8754
454	4FF	0.8754
455	BZQ	0.8754
456	CX6	0.8753
457	1WC	0.8753
458	9JT	0.8753
459	VM1	0.8753
460	0F9	0.8753
461	6QF	0.8752
462	U4J	0.8751
463	2C2	0.8751
464	S0E	0.8751
465	2J1	0.8751
466	0OL	0.8750
467	50C	0.8750
468	ZJB	0.8749
469	7VF	0.8748
470	57O	0.8748
471	C2Y	0.8748
472	DX3	0.8746
473	17C	0.8746
474	344	0.8745
475	ALE	0.8745
476	5P7	0.8744
477	TIY	0.8744
478	4EU	0.8744
479	NPA	0.8743
480	SV4	0.8743
481	78P	0.8742
482	Z21	0.8742
483	NCV	0.8741
484	SYE	0.8740
485	CJZ	0.8740
486	XI7	0.8739
487	TMG	0.8738
488	657	0.8738
489	ROI	0.8737
490	GZ2	0.8736
491	XEN	0.8736
492	CEG	0.8734
493	LZ2	0.8734
494	YE7	0.8734
495	HA5	0.8734
496	PBQ	0.8733
497	Q92	0.8732
498	4KL	0.8731
499	A4Q	0.8730
500	I2E	0.8730
501	3Y7	0.8730
502	ASE	0.8729
503	ENO	0.8728
504	HWH	0.8728
505	TYE	0.8728
506	BP3	0.8727
507	CB1	0.8727
508	CSN	0.8727
509	DPT	0.8726
510	BY5	0.8726
511	A5H	0.8725
512	ISA	0.8725
513	CUT	0.8723
514	ZEA	0.8723
515	TSR	0.8722
516	5P3	0.8721
517	CFA	0.8721
518	5WN	0.8721
519	NE1	0.8720
520	5NS	0.8718
521	FHI	0.8717
522	2UB	0.8717
523	EXG	0.8713
524	5O5	0.8712
525	15N	0.8712
526	0OK	0.8711
527	DNA	0.8711
528	H5B	0.8710
529	JRO	0.8710
530	MAJ	0.8710
531	JRB	0.8709
532	I4D	0.8709
533	6J3	0.8709
534	B23	0.8709
535	HA6	0.8708
536	3WJ	0.8706
537	SKF	0.8704
538	92P	0.8704
539	TVC	0.8704
540	F63	0.8703
541	7QY	0.8702
542	JF1	0.8701
543	EVF	0.8701
544	PYU	0.8701
545	JZA	0.8700
546	K48	0.8700
547	CUH	0.8700
548	0OP	0.8700
549	0FK	0.8699
550	6HX	0.8698
551	0JD	0.8697
552	Q9T	0.8697
553	L22	0.8697
554	XCG	0.8697
555	HNH	0.8696
556	FF2	0.8695
557	2K8	0.8695
558	LR2	0.8694
559	38E	0.8694
560	WS6	0.8693
561	MUR	0.8692
562	ONR	0.8692
563	A1Y	0.8691
564	U2Z	0.8691
565	DRG	0.8691
566	C9E	0.8690
567	28N	0.8690
568	BZC	0.8690
569	537	0.8689
570	QQX	0.8689
571	FT1	0.8688
572	I59	0.8687
573	9PL	0.8686
574	RSV	0.8686
575	M5E	0.8686
576	B2Y	0.8685
577	AJD	0.8685
578	PEY	0.8684
579	6KT	0.8684
580	IAC	0.8683
581	DT7	0.8683
582	JG8	0.8683
583	6X9	0.8683
584	S7G	0.8682
585	JVN	0.8682
586	DHY	0.8681
587	GO2	0.8681
588	PMP	0.8681
589	8HC	0.8680
590	2LY	0.8680
591	JF2	0.8679
592	11X	0.8679
593	2LW	0.8679
594	EXD	0.8679
595	YO5	0.8678
596	IPD	0.8678
597	9FL	0.8678
598	EYV	0.8677
599	NAG	0.8676
600	BQ5	0.8676
601	ABF	0.8676
602	FBC	0.8675
603	EYA	0.8675
604	V1T	0.8674
605	GEN	0.8674
606	WA2	0.8673
607	DIF	0.8673
608	1V1	0.8673
609	IMQ	0.8673
610	MOK	0.8673
611	N91	0.8672
612	1VK	0.8672
613	B56	0.8670
614	6JO	0.8670
615	9MR	0.8669
616	THA	0.8668
617	1KP	0.8666
618	A73	0.8665
619	JMS	0.8665
620	S60	0.8664
621	YIH	0.8663
622	4FP	0.8661
623	7R7	0.8661
624	EV2	0.8660
625	4V2	0.8660
626	9AA	0.8660
627	L5E	0.8660
628	DIH	0.8660
629	IQW	0.8660
630	3W1	0.8659
631	MQG	0.8657
632	49O	0.8657
633	ZRK	0.8656
634	CHQ	0.8656
635	4RU	0.8656
636	WL3	0.8654
637	K7H	0.8653
638	0UL	0.8653
639	X8D	0.8652
640	GI1	0.8650
641	2D2	0.8650
642	G1P	0.8648
643	G12	0.8648
644	3B4	0.8646
645	EY7	0.8646
646	54E	0.8646
647	581	0.8646
648	SG2	0.8645
649	9RM	0.8644
650	E1T	0.8644
651	U	0.8643
652	PJW	0.8642
653	SGP	0.8641
654	ODK	0.8641
655	GOE	0.8640
656	9F8	0.8640
657	36E	0.8639
658	WUB	0.8638
659	P9E	0.8637
660	NPL	0.8637
661	26C	0.8636
662	EYM	0.8636
663	XRX	0.8635
664	8VR	0.8635
665	0J4	0.8635
666	AC2	0.8635
667	64E	0.8635
668	KYA	0.8635
669	ZZA	0.8634
670	54Z	0.8634
671	39O	0.8633
672	42R	0.8632
673	AY4	0.8632
674	3VX	0.8630
675	HHR	0.8629
676	GVY	0.8629
677	QQY	0.8628
678	PLR	0.8628
679	4TU	0.8628
680	M6P	0.8627
681	ZEC	0.8625
682	QUS	0.8624
683	IFM BGC	0.8624
684	JR2	0.8624
685	EFX	0.8623
686	5TY	0.8622
687	GNV	0.8621
688	DNC	0.8621
689	5VL	0.8621
690	TT4	0.8621
691	N2M	0.8620
692	EUE	0.8620
693	RNK	0.8618
694	RVB	0.8618
695	BP6	0.8618
696	DNF	0.8617
697	LVY	0.8617
698	CKA	0.8617
699	XRS	0.8617
700	NLA	0.8614
701	PH3	0.8613
702	9FE	0.8613
703	NI9	0.8613
704	Q77	0.8613
705	JYK	0.8612
706	BA5	0.8611
707	LDR	0.8610
708	CXH	0.8609
709	X0U	0.8609
710	JTA	0.8606
711	E3X	0.8606
712	CU8	0.8606
713	HBO	0.8606
714	SLS	0.8605
715	I6G	0.8605
716	9ZE	0.8601
717	1DR	0.8598
718	TR4	0.8598
719	R6T	0.8597
720	X04	0.8597
721	N9J	0.8597
722	B1J	0.8595
723	S3C	0.8595
724	TYP	0.8595
725	M6D	0.8595
726	MNP	0.8594
727	APS	0.8592
728	4AN	0.8592
729	L13	0.8592
730	GLP	0.8590
731	ANF	0.8589
732	2FQ	0.8589
733	HNT	0.8589
734	GNR	0.8589
735	977	0.8588
736	97T	0.8587
737	724	0.8587
738	1QV	0.8586
739	DHC	0.8585
740	8G6	0.8585
741	ISC	0.8584
742	AA	0.8583
743	3QV	0.8582
744	774	0.8582
745	AUT	0.8582
746	A6H	0.8581
747	5GT	0.8581
748	HMD	0.8580
749	BGP	0.8580
750	M6Z	0.8577
751	UL1	0.8575
752	GJK	0.8574
753	F1X	0.8574
754	JYT	0.8574
755	1A5	0.8574
756	PLP	0.8573
757	MZM	0.8571
758	F5C	0.8571
759	5NI	0.8571
760	9AP	0.8570
761	7Q1	0.8570
762	U13	0.8570
763	VXX	0.8570
764	RIS	0.8568
765	IM5	0.8567
766	BIE	0.8567
767	ML1	0.8566
768	LAH	0.8564
769	Z17	0.8564
770	683	0.8564
771	57D	0.8563
772	A4T	0.8562
773	GJP	0.8562
774	R20	0.8561
775	LFN	0.8561
776	OQC	0.8560
777	3AK	0.8557
778	ET0	0.8554
779	OJD	0.8554
780	H35	0.8553
781	UAY	0.8553
782	6C8	0.8552
783	AN3	0.8552
784	96U	0.8551
785	PXP	0.8551
786	AH6	0.8551
787	DCM	0.8551
788	0J2	0.8549
789	AZM	0.8548
790	HNM	0.8547
791	47V	0.8546
792	LFQ	0.8545
793	XYS XYS	0.8544
794	A6P	0.8540
795	UFO	0.8539
796	7M2	0.8538
797	67Y	0.8535
798	DBE	0.8530
799	AJY	0.8527
800	BPU	0.8527
801	DT9	0.8525
802	AUG	0.8519
803	JO5	0.8516
804	6TZ	0.8506

Ligand no: 3; Ligand: TYD; Similar ligands found: 40

No:	Ligand	Similarity coefficient
1	UDP	0.9699
2	CDP	0.9611
3	GDP	0.9414
4	CDP MG	0.9413
5	ADP	0.9340
6	DAT	0.9300
7	DGI	0.9247
8	UDP UDP	0.9200
9	ADX	0.9182
10	ADP MG	0.9170
11	M33	0.9169
12	IDP	0.9166
13	AN2	0.9163
14	CA0	0.9151
15	GNH	0.9138
16	CUU	0.9101
17	AP2	0.9086
18	A12	0.9086
19	GCQ	0.9079
20	0RC	0.9061
21	M7G	0.9023
22	G8D	0.9005
23	QBT	0.8918
24	FZQ	0.8779
25	7XL	0.8744
26	DCP MG	0.8710
27	UTP	0.8698
28	C	0.8676
29	CTP	0.8658
30	C5P	0.8626
31	U5P	0.8621
32	AMP	0.8615
33	CAR	0.8608
34	523	0.8608
35	UP6	0.8582
36	9L3	0.8571
37	2KH	0.8564
38	H2U	0.8554
39	DOC	0.8546
40	FN5	0.8545

Similar Binding Sites (Proteins are less than 50% similar to leader)

Pocket No.: 1; Query (leader) PDB : 4HN1; Ligand: TYD; 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: 4hn1.bio1) has 16 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 2; Query (leader) PDB : 4HN1; Ligand: THM; 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: 4hn1.bio1) has 3 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 3; Query (leader) PDB : 4HN1; Ligand: THM; 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: 4hn1.bio1) has 4 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 4; Query (leader) PDB : 4HN1; Ligand: TYD; 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: 4hn1.bio1) has 16 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 5; Query (leader) PDB : 4HN1; Ligand: TDR; 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: 4hn1.bio2) has 3 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 6; Query (leader) PDB : 4HN1; Ligand: TYD; 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: 4hn1.bio2) has 18 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 7; Query (leader) PDB : 4HN1; Ligand: TDR; 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: 4hn1.bio2) has 4 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 8; Query (leader) PDB : 4HN1; Ligand: TYD; 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: 4hn1.bio2) has 18 residues
No:	Leader PDB	Ligand	Sequence Similarity

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