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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
1Z5N	2.1 Å	EC: 3.2.2.9	CRYSTAL STRUCTURE OF MTA/ADOHCY NUCLEOSIDASE GLU12GLN MUTANT WITH 5-METHYLTHIORIBOSE AND ADENINE	ESCHERICHIA COLI	MIXED ALPHA/BETA HYDROLASE
Ref.:	STRUCTURAL SNAPSHOTS OF MTA/ADOHCY NUCLEOSIDASE ALO REACTION COORDINATE PROVIDE INSIGHTS INTO ENZYME AN NUCLEOSIDE FLEXIBILITY DURING CATALYSIS J.MOL.BIOL. V. 352 559 2005

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	NGL Viewer	Molecular Weight (Da)	Formula	SMILES
ADE	A:234; B:236;	Valid; Valid;	none; none;	Ki = 300 uM		135.127	C5 H5 N5	c1[nH...
SR1	A:233; B:235;	Valid; Valid;	none; none;	submit data		180.222	C6 H12 O4 S	CSC[C...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
4WKC	1.64 Å	EC: 3.2.2.9	CRYSTAL STRUCTURE OF ESCHERICHIA COLI 5'-METHYLTHIOADENOSINE ADENOSYL HOMOCYSTEINE NUCLEOSIDASE (MTAN) COMPLEXED WITH BUD ADME-IMMUCILLIN-A	ESCHERICHIA COLI O139:H28	HYDROLASE HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.:	ACTIVE SITE AND REMOTE CONTRIBUTIONS TO CATALYSIS I METHYLTHIOADENOSINE NUCLEOSIDASES. BIOCHEMISTRY V. 54 2520 2015

Members (15)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 6 families.
1	3DF9	-	DF9	C19 H23 N5 O S	c1ccc(cc1)....
2	4F1W	-	ADE	C5 H5 N5	c1[nH]c2c(....
3	1Y6Q	Ki = 2 pM	TDI	C13 H19 N5 O S	CSC[C@H]1C....
4	4YML	Ki = 4.5 nM	4F0	C13 H19 N5 O S	CSC[C@@H]1....
5	1NC3	Ki = 10 uM	FMC	C10 H13 N5 O4	c1nc2c(c(n....
6	4WKC	Ki = 0.21 pM	BIG	C16 H25 N5 O S	CCCCSC[C@H....
7	1JYS	Ki = 300 uM	ADE	C5 H5 N5	c1[nH]c2c(....
8	4F2W	Ki = 5 pM	TDI	C13 H19 N5 O S	CSC[C@H]1C....
9	1NC1	Ki = 0.75 uM	MTH	C12 H16 N4 O3 S	CSC[C@@H]1....
10	1Z5N	Ki = 300 uM	ADE	C5 H5 N5	c1[nH]c2c(....
11	4F2P	Ki = 5 pM	2EL	C16 H25 N5 O3 S	c1c(c2c([n....
12	1Y6R	Ki = 77 pM	MTM	C12 H19 N5 O2 S	CSC[C@@H]1....
13	4F3C	Ki = 1.5 pM	BIG	C16 H25 N5 O S	CCCCSC[C@H....
14	4F3K	Ki = 69 pM	HCE	C16 H24 N6 O3 S	c1c(c2c([n....
15	1Z5O	-	MTA	C11 H15 N5 O3 S	CSC[C@@H]1....

70% Homology Family (18)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 4 families.
1	3DF9	-	DF9	C19 H23 N5 O S	c1ccc(cc1)....
2	4F1W	-	ADE	C5 H5 N5	c1[nH]c2c(....
3	1Y6Q	Ki = 2 pM	TDI	C13 H19 N5 O S	CSC[C@H]1C....
4	4YML	Ki = 4.5 nM	4F0	C13 H19 N5 O S	CSC[C@@H]1....
5	1NC3	Ki = 10 uM	FMC	C10 H13 N5 O4	c1nc2c(c(n....
6	4WKC	Ki = 0.21 pM	BIG	C16 H25 N5 O S	CCCCSC[C@H....
7	1JYS	Ki = 300 uM	ADE	C5 H5 N5	c1[nH]c2c(....
8	4F2W	Ki = 5 pM	TDI	C13 H19 N5 O S	CSC[C@H]1C....
9	1NC1	Ki = 0.75 uM	MTH	C12 H16 N4 O3 S	CSC[C@@H]1....
10	1Z5N	Ki = 300 uM	ADE	C5 H5 N5	c1[nH]c2c(....
11	4F2P	Ki = 5 pM	2EL	C16 H25 N5 O3 S	c1c(c2c([n....
12	1Y6R	Ki = 77 pM	MTM	C12 H19 N5 O2 S	CSC[C@@H]1....
13	4F3C	Ki = 1.5 pM	BIG	C16 H25 N5 O S	CCCCSC[C@H....
14	4F3K	Ki = 69 pM	HCE	C16 H24 N6 O3 S	c1c(c2c([n....
15	1Z5O	-	MTA	C11 H15 N5 O3 S	CSC[C@@H]1....
16	4X24	Ki = 166 pM	TDI	C13 H19 N5 O S	CSC[C@H]1C....
17	3DP9	Kd = 208 pM	BIG	C16 H25 N5 O S	CCCCSC[C@H....
18	4WKB	Ki = 2.7 pM	TDI	C13 H19 N5 O S	CSC[C@H]1C....

50% Homology Family (41)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1 families.
1	3DF9	-	DF9	C19 H23 N5 O S	c1ccc(cc1)....
2	4F1W	-	ADE	C5 H5 N5	c1[nH]c2c(....
3	1Y6Q	Ki = 2 pM	TDI	C13 H19 N5 O S	CSC[C@H]1C....
4	4YML	Ki = 4.5 nM	4F0	C13 H19 N5 O S	CSC[C@@H]1....
5	1NC3	Ki = 10 uM	FMC	C10 H13 N5 O4	c1nc2c(c(n....
6	4WKC	Ki = 0.21 pM	BIG	C16 H25 N5 O S	CCCCSC[C@H....
7	1JYS	Ki = 300 uM	ADE	C5 H5 N5	c1[nH]c2c(....
8	4F2W	Ki = 5 pM	TDI	C13 H19 N5 O S	CSC[C@H]1C....
9	1NC1	Ki = 0.75 uM	MTH	C12 H16 N4 O3 S	CSC[C@@H]1....
10	1Z5N	Ki = 300 uM	ADE	C5 H5 N5	c1[nH]c2c(....
11	4F2P	Ki = 5 pM	2EL	C16 H25 N5 O3 S	c1c(c2c([n....
12	1Y6R	Ki = 77 pM	MTM	C12 H19 N5 O2 S	CSC[C@@H]1....
13	4F3C	Ki = 1.5 pM	BIG	C16 H25 N5 O S	CCCCSC[C@H....
14	4F3K	Ki = 69 pM	HCE	C16 H24 N6 O3 S	c1c(c2c([n....
15	1Z5O	-	MTA	C11 H15 N5 O3 S	CSC[C@@H]1....
16	1ZOS	Ki = 1 uM	MTM	C12 H19 N5 O2 S	CSC[C@@H]1....
17	4WKP	-	3QA	C17 H27 N5 O3 S	c1c(c2c([n....
18	6DYV	Kd = 0.026 nM	OS3	C17 H23 N5 O S	C#CCCCSC[C....
19	4YNB	Ki = 0.043 nM	4EH	C16 H19 N7 O S	c1cnc(cn1)....
20	4FFS	Kd = 36 pM	BIG	C16 H25 N5 O S	CCCCSC[C@H....
21	6DYY	Kd = 0.028 nM	OS6	C21 H32 N8 O S	CCCCn1cc(n....
22	3NM6	-	TRS	C4 H12 N O3	C(C(CO)(CO....
23	4WKN	Ki = 0.19 nM	TDI	C13 H19 N5 O S	CSC[C@H]1C....
24	4OY3	-	SAH	C14 H20 N6 O5 S	c1nc(c2c(n....
25	5KB3	Kd = 570 pM	4CT	C18 H20 Cl N5 O S	c1cc(ccc1S....
26	4YO8	Ki = 0.03 nM	4EZ	C14 H23 N5 O	CCCCCCN(Cc....
27	4P54	-	MTA	C11 H15 N5 O3 S	CSC[C@@H]1....
28	3NM5	-	FMC	C10 H13 N5 O4	c1nc2c(c(n....
29	4WKO	Ki = 0.34 nM	GMD	C16 H25 N5 O2 S	c1c(c2c([n....
30	6DYW	Kd = 0.036 nM	OS5	C24 H30 N8 O S	c1ccc(cc1)....
31	6DYU	Kd = 0.055 nM	OS2	C15 H19 N5 O S	C#CCSC[C@H....
32	4OJT	-	ADE	C5 H5 N5	c1[nH]c2c(....
33	4X24	Ki = 166 pM	TDI	C13 H19 N5 O S	CSC[C@H]1C....
34	3DP9	Kd = 208 pM	BIG	C16 H25 N5 O S	CCCCSC[C@H....
35	4WKB	Ki = 2.7 pM	TDI	C13 H19 N5 O S	CSC[C@H]1C....
36	4BMZ	-	MTA	C11 H15 N5 O3 S	CSC[C@@H]1....
37	4BMX	-	ADE	C5 H5 N5	c1[nH]c2c(....
38	3BL6	-	FMC	C10 H13 N5 O4	c1nc2c(c(n....
39	6AYR	Ki = 4.1 nM	BIG	C16 H25 N5 O S	CCCCSC[C@H....
40	6AYQ	Ki = 6.5 nM	TDI	C13 H19 N5 O S	CSC[C@H]1C....
41	6AYO	Ki = 5.1 nM	C1Y	C14 H21 N5 O	CCC[C@H]1C....

Polypharmacology

Similar Ligands (2D)

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

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	ADE	1	1
2	PM6	0.5	0.742857
3	ES4	0.463415	0.685714
4	6AP	0.428571	0.9375
5	XQG	0.422222	0.648649
6	M02	0.411765	0.630435

Ligand no: 2; Ligand: SR1; Similar ligands found: 7

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	SR1	1	1
2	FUB	0.466667	0.764706
3	Z6J	0.466667	0.764706
4	BDR	0.466667	0.764706
5	32O	0.466667	0.764706
6	RIB	0.466667	0.764706
7	AHR	0.466667	0.764706

Similar Ligands (3D)

Ligand no: 1; Ligand: ADE; Similar ligands found: 1169

No:	Ligand	Similarity coefficient
1	BP1	1.0000
2	7WA	1.0000
3	HPA	1.0000
4	9DA	1.0000
5	6MP	1.0000
6	7HP	1.0000
7	9HX	1.0000
8	10L	1.0000
9	GAL	1.0000
10	BTE	0.9979
11	SWD	0.9969
12	XYP	0.9901
13	LXC	0.9869
14	SVN	0.9860
15	9EW	0.9846
16	O72	0.9835
17	5Q0	0.9831
18	N5J	0.9830
19	1LQ	0.9823
20	RSF	0.9823
21	24W	0.9822
22	5IQ	0.9821
23	HQY	0.9818
24	4YS	0.9817
25	5SG	0.9816
26	1LM	0.9814
27	HLR	0.9812
28	1NP	0.9811
29	ES1	0.9810
30	1SQ	0.9808
31	JPZ	0.9807
32	L3Q	0.9805
33	JBH	0.9803
34	XAN	0.9799
35	GUN	0.9797
36	F05	0.9793
37	M1A	0.9790
38	BZF	0.9788
39	Q88	0.9786
40	AZA	0.9783
41	GVH	0.9780
42	0R1	0.9778
43	BZI	0.9776
44	9DG	0.9775
45	HH8	0.9774
46	4JP	0.9770
47	JZ9	0.9768
48	IND	0.9766
49	ADK	0.9766
50	LZ1	0.9764
51	MPI	0.9762
52	0CT	0.9761
53	25W	0.9760
54	4XH	0.9758
55	ADZ	0.9758
56	GIO	0.9748
57	EQT	0.9743
58	ES0	0.9741
59	G6D	0.9739
60	A2F	0.9736
61	SAL	0.9736
62	1XN	0.9735
63	IGA	0.9734
64	MBD	0.9733
65	DEN	0.9723
66	6M4	0.9723
67	IDM	0.9719
68	0RW	0.9716
69	67N	0.9713
70	JBE	0.9711
71	7B4	0.9710
72	CWM	0.9704
73	CFP	0.9703
74	OXQ	0.9697
75	141	0.9691
76	AHR	0.9686
77	290	0.9681
78	URF	0.9681
79	23A	0.9680
80	6GU	0.9679
81	DX4	0.9679
82	AZG	0.9678
83	XYS	0.9677
84	GBD	0.9669
85	3U4	0.9667
86	3MC	0.9662
87	1XM	0.9658
88	7HQ	0.9656
89	4SV	0.9655
90	XXR	0.9652
91	PYG	0.9649
92	JIF	0.9649
93	3MA	0.9640
94	3FA	0.9640
95	MCT	0.9639
96	BE2	0.9635
97	QUZ	0.9630
98	WBU	0.9629
99	FLM	0.9627
100	5WX	0.9624
101	6M9	0.9624
102	I3A	0.9623
103	BOA	0.9622
104	YH7	0.9622
105	KYD	0.9620
106	FFP	0.9616
107	GAG	0.9615
108	KKN	0.9615
109	NPY	0.9608
110	HH5	0.9603
111	1PT	0.9603
112	F5B	0.9601
113	DBJ	0.9601
114	ARB	0.9599
115	TDR	0.9598
116	5AC	0.9597
117	BCP	0.9594
118	A1U	0.9591
119	4ZE	0.9589
120	QOS	0.9588
121	BEN	0.9587
122	3ZQ	0.9587
123	IFM	0.9585
124	MWM	0.9585
125	ES6	0.9582
126	G3F	0.9582
127	ISN	0.9582
128	0TR	0.9578
129	1WD	0.9578
130	GLC	0.9578
131	M1E	0.9577
132	DUB	0.9576
133	0CU	0.9575
134	2C9	0.9573
135	BAM	0.9573
136	HY3	0.9572
137	1MC	0.9569
138	7VS	0.9566
139	NMJ	0.9566
140	GMN	0.9564
141	7W4	0.9563
142	8GC	0.9563
143	JKE	0.9561
144	ES7	0.9560
145	4HO	0.9559
146	2CM	0.9556
147	TM7	0.9554
148	275	0.9554
149	XBZ	0.9551
150	ICP	0.9550
151	PYD	0.9550
152	2MY	0.9550
153	FUL	0.9549
154	270	0.9548
155	BR8	0.9548
156	FPY	0.9547
157	2MP	0.9546
158	HLZ	0.9546
159	2AC	0.9543
160	BGC	0.9541
161	39A	0.9538
162	5WV	0.9538
163	R8V	0.9536
164	34A	0.9531
165	M0Q	0.9531
166	URA	0.9531
167	HZQ	0.9525
168	NCA	0.9524
169	3DO	0.9522
170	MT0	0.9522
171	5UC	0.9521
172	XYD	0.9518
173	2YU	0.9518
174	6MH	0.9516
175	60P	0.9503
176	5HN	0.9503
177	6UA	0.9503
178	JZ3	0.9501
179	3CE	0.9500
180	2D0	0.9498
181	3WA	0.9497
182	3NT	0.9497
183	495	0.9496
184	AX7	0.9494
185	HT4	0.9493
186	YSO	0.9492
187	GRE	0.9488
188	PZA	0.9488
189	5AN	0.9488
190	2ZV	0.9486
191	4CS	0.9486
192	BZX	0.9485
193	LG3	0.9484
194	5M0	0.9483
195	43M	0.9483
196	AX2	0.9481
197	TM4	0.9480
198	13X	0.9478
199	284	0.9478
200	CYT	0.9477
201	0MK	0.9477
202	VGL	0.9476
203	GAB	0.9476
204	6AI	0.9475
205	7MH	0.9475
206	5RG	0.9475
207	RCO	0.9473
208	7WV	0.9472
209	6PC	0.9471
210	YCP	0.9471
211	WDL	0.9470
212	NBZ	0.9470
213	6F0	0.9469
214	26D	0.9468
215	KJH	0.9467
216	RAM	0.9467
217	JBK	0.9466
218	6CS	0.9465
219	9MG	0.9464
220	DBH	0.9461
221	2CK	0.9460
222	EXO	0.9460
223	MZG	0.9460
224	ISE	0.9459
225	3AY	0.9458
226	TH0	0.9457
227	4CL	0.9456
228	FCA	0.9456
229	RP7	0.9454
230	DFB	0.9453
231	BEZ	0.9452
232	12Q	0.9451
233	FUC	0.9451
234	40O	0.9451
235	RIP	0.9450
236	PE0	0.9447
237	3ID	0.9447
238	4XR	0.9447
239	5MB	0.9446
240	5H1	0.9446
241	IDH	0.9446
242	1WG	0.9445
243	2K4	0.9445
244	3AB	0.9445
245	TTL	0.9445
246	M1H	0.9442
247	R8A	0.9441
248	3M0	0.9440
249	FE DB1	0.9440
250	3HA	0.9440
251	ARA	0.9439
252	3MH	0.9438
253	NK	0.9437
254	F60	0.9437
255	OVV	0.9437
256	3F0	0.9436
257	OXZ	0.9436
258	M0W	0.9435
259	DUC	0.9435
260	RM1	0.9435
261	64K	0.9432
262	3HB	0.9431
263	CAQ	0.9431
264	2MI	0.9430
265	3SK	0.9430
266	LCN	0.9430
267	JBQ	0.9429
268	GTQ	0.9429
269	4JJ	0.9428
270	S76	0.9428
271	14O	0.9427
272	URC	0.9427
273	54G	0.9426
274	FDB	0.9424
275	5MH	0.9422
276	5MI	0.9422
277	FCB	0.9421
278	NTN	0.9421
279	NIO	0.9420
280	JFD	0.9419
281	J1Z	0.9419
282	CRS	0.9419
283	5ZE	0.9417
284	8GF	0.9416
285	4JO	0.9416
286	ES9	0.9415
287	2A7	0.9414
288	7W1	0.9414
289	UNU	0.9414
290	BE7	0.9412
291	7NI	0.9412
292	OXE	0.9412
293	3Z7	0.9411
294	27Y	0.9411
295	MFB	0.9411
296	53C	0.9410
297	286	0.9409
298	VNJ	0.9409
299	L89	0.9406
300	A7W	0.9406
301	1P7	0.9405
302	JZ2	0.9404
303	P92	0.9404
304	SWA	0.9403
305	B55	0.9403
306	5JC	0.9402
307	5QX	0.9402
308	5B1	0.9402
309	LG5	0.9402
310	GCS	0.9402
311	0P6	0.9401
312	42A	0.9401
313	Q24	0.9401
314	HQT	0.9400
315	UNC	0.9399
316	3BZ	0.9399
317	HPY	0.9399
318	OXC	0.9398
319	M6N	0.9397
320	LGC	0.9396
321	7CZ	0.9396
322	BVF	0.9395
323	AZ8	0.9394
324	150	0.9393
325	RM4	0.9393
326	AZF	0.9393
327	92Z	0.9391
328	2ZX	0.9391
329	FYU	0.9391
330	3CH	0.9390
331	FPK	0.9386
332	CWS	0.9386
333	5MK	0.9385
334	8S0	0.9385
335	8IG	0.9384
336	BTY	0.9384
337	HJP	0.9384
338	BR9	0.9383
339	8LG	0.9382
340	FUF	0.9382
341	LZM	0.9382
342	FOT	0.9381
343	H4N	0.9379
344	B53	0.9379
345	RNS	0.9378
346	76X	0.9378
347	12M	0.9377
348	0W8	0.9375
349	DMD	0.9374
350	XM0	0.9373
351	T6C	0.9373
352	282	0.9373
353	MEW	0.9371
354	MWJ	0.9370
355	RIB	0.9369
356	ERH	0.9368
357	42C	0.9368
358	ABV	0.9368
359	1AN	0.9367
360	M5K	0.9367
361	MRW	0.9366
362	JZ1	0.9366
363	SX1	0.9363
364	FP2	0.9363
365	WCE	0.9362
366	3RK	0.9360
367	PXL	0.9360
368	AQO	0.9359
369	KT7	0.9359
370	11S	0.9359
371	2AF	0.9358
372	ORO	0.9358
373	BEW	0.9355
374	INS	0.9355
375	KOJ	0.9354
376	2DR	0.9351
377	6M1	0.9350
378	DFU	0.9350
379	4HC	0.9350
380	M1Q	0.9349
381	JZ0	0.9348
382	GYE	0.9348
383	4PW	0.9347
384	32X	0.9347
385	HHA	0.9346
386	G2F	0.9346
387	8CM	0.9344
388	35C	0.9344
389	2CQ	0.9344
390	XLS	0.9343
391	93Q	0.9340
392	9TZ	0.9340
393	P3K	0.9339
394	8TX	0.9339
395	PBE	0.9334
396	IJZ	0.9333
397	DHB	0.9333
398	ASO	0.9332
399	FK1	0.9330
400	CIG	0.9330
401	XQ0	0.9330
402	75K	0.9328
403	J9W	0.9327
404	BRT	0.9327
405	KBG	0.9327
406	8NY	0.9326
407	R8S	0.9326
408	5JQ	0.9326
409	4NC	0.9326
410	CTL	0.9322
411	SOE	0.9322
412	Q6T	0.9321
413	YTB	0.9320
414	2CH	0.9319
415	EA1	0.9319
416	KUF	0.9318
417	SEJ	0.9318
418	JAE	0.9317
419	BHO	0.9317
420	KPL	0.9316
421	URQ	0.9316
422	AKH	0.9315
423	5NU	0.9315
424	QSC	0.9313
425	DOR	0.9312
426	NDH	0.9312
427	0R0	0.9309
428	TLD	0.9309
429	IUR	0.9305
430	F0J	0.9305
431	AJ2	0.9303
432	SYN	0.9303
433	1P3	0.9303
434	AGK	0.9301
435	DIE	0.9300
436	DIN	0.9300
437	ABE	0.9300
438	TH7	0.9296
439	QWN	0.9295
440	1DW	0.9295
441	VNL	0.9295
442	HTS	0.9293
443	NOJ	0.9293
444	4HM	0.9290
445	NOY	0.9289
446	MLT	0.9286
447	938	0.9285
448	280	0.9284
449	5JL	0.9284
450	SKA	0.9283
451	94N	0.9282
452	R2B	0.9282
453	WOO	0.9281
454	HMH	0.9281
455	DHQ	0.9280
456	XAZ	0.9279
457	Y8I	0.9278
458	1XX	0.9277
459	2MN	0.9276
460	AMC	0.9275
461	ALL	0.9274
462	NEQ	0.9273
463	LSA	0.9272
464	34D	0.9271
465	9TY	0.9271
466	H3M	0.9270
467	HGQ	0.9269
468	4H2	0.9269
469	AFR	0.9268
470	GIF	0.9268
471	HBX	0.9268
472	1AB	0.9267
473	FPI	0.9265
474	HFB	0.9264
475	2H5	0.9264
476	45C	0.9263
477	DMJ	0.9263
478	IFL	0.9262
479	M3T	0.9261
480	EDG	0.9259
481	JUG	0.9258
482	MAK	0.9258
483	FP1	0.9258
484	Z6J	0.9258
485	PHT	0.9258
486	24B	0.9255
487	MNM	0.9253
488	5OB	0.9253
489	5CU	0.9253
490	IV2	0.9252
491	B3R	0.9251
492	AW5	0.9251
493	3OC	0.9251
494	TEP	0.9249
495	SHG	0.9248
496	4XX	0.9248
497	2FG	0.9247
498	XX2	0.9245
499	D1X	0.9245
500	2AQ	0.9244
501	PBC	0.9244
502	329	0.9243
503	HEW	0.9241
504	G4D	0.9241
505	SJ5	0.9240
506	G5V	0.9239
507	HMU	0.9239
508	NTM	0.9237
509	COU	0.9237
510	8EZ	0.9237
511	BDF	0.9237
512	ICF	0.9236
513	4ZC	0.9233
514	IPZ	0.9233
515	4FS	0.9232
516	ES5	0.9231
517	PYF	0.9229
518	03V	0.9229
519	GLA	0.9229
520	BMA	0.9228
521	QXW	0.9228
522	6KX	0.9228
523	DHK	0.9228
524	5RN	0.9225
525	MYJ	0.9224
526	MAN	0.9223
527	DAB	0.9223
528	KIV	0.9223
529	CTS	0.9220
530	3XX	0.9219
531	ABN	0.9218
532	2EC	0.9217
533	F81	0.9214
534	3IT	0.9213
535	V55	0.9212
536	OAA	0.9212
537	4M4	0.9212
538	INO	0.9211
539	94B	0.9211
540	3Z8	0.9210
541	NBE	0.9210
542	2LP	0.9210
543	PY7	0.9210
544	FOA	0.9208
545	QWW	0.9205
546	PRO	0.9205
547	C2U	0.9201
548	ZZT	0.9200
549	BHA	0.9200
550	DOB	0.9200
551	OCH	0.9200
552	QX2	0.9200
553	OVM	0.9198
554	2XX	0.9198
555	6X8	0.9198
556	ALO	0.9197
557	3DM	0.9196
558	YAN	0.9195
559	JB5	0.9195
560	FA0	0.9195
561	285	0.9195
562	H42	0.9195
563	260	0.9193
564	KLW	0.9193
565	1GN	0.9193
566	NNO	0.9192
567	47J	0.9191
568	4M0	0.9188
569	3MB	0.9188
570	MSN	0.9186
571	TBP	0.9186
572	ECE	0.9186
573	8H8	0.9183
574	AC0	0.9183
575	F4Z	0.9182
576	D07	0.9182
577	86J	0.9182
578	3HM	0.9182
579	B57	0.9181
580	LMR	0.9180
581	P9P	0.9179
582	TAR	0.9179
583	FHB	0.9178
584	4A3	0.9177
585	ENL	0.9177
586	GOO	0.9177
587	12B	0.9176
588	PYC	0.9176
589	AUD	0.9176
590	ICC	0.9174
591	1MR	0.9174
592	2HO	0.9172
593	7VJ	0.9171
594	8WT	0.9171
595	JBN	0.9171
596	HHQ	0.9170
597	GAF	0.9169
598	G1O	0.9168
599	1P8	0.9167
600	MRZ	0.9166
601	GLF	0.9166
602	37T	0.9165
603	PZI	0.9164
604	VGD	0.9163
605	N8P	0.9162
606	XBT	0.9162
607	6LW	0.9161
608	93K	0.9160
609	QBK	0.9160
610	ZZ3	0.9159
611	149	0.9158
612	2TQ	0.9158
613	EUG	0.9156
614	X6X	0.9156
615	KJY	0.9155
616	36R	0.9155
617	3MG	0.9155
618	JLZ	0.9154
619	948	0.9153
620	FH2	0.9153
621	NSP	0.9152
622	DTL	0.9152
623	1LN	0.9151
624	PXM	0.9150
625	VAL	0.9149
626	DGJ	0.9149
627	GIV	0.9148
628	ET2	0.9147
629	PA1	0.9147
630	5WY	0.9147
631	X09	0.9146
632	TC7	0.9145
633	LRH	0.9145
634	CLW	0.9143
635	YIO	0.9143
636	CXL	0.9143
637	TMT	0.9140
638	BDP	0.9140
639	TMZ	0.9139
640	TZE	0.9138
641	RXA	0.9137
642	VK3	0.9137
643	FLA	0.9136
644	TLA	0.9135
645	BCF	0.9131
646	2PC	0.9130
647	51R	0.9129
648	ZWZ	0.9128
649	NQ	0.9127
650	SYV	0.9123
651	CHB	0.9123
652	AZ9	0.9122
653	PYQ	0.9121
654	82I	0.9121
655	HX3	0.9121
656	FAN	0.9120
657	TP5	0.9119
658	CYH	0.9119
659	PAF	0.9118
660	GXL	0.9117
661	SS1	0.9117
662	9TW	0.9116
663	MO8	0.9115
664	FBV	0.9115
665	261	0.9114
666	23W	0.9114
667	2HQ	0.9113
668	DRL	0.9113
669	DQN	0.9112
670	FDK	0.9112
671	FBT	0.9112
672	2ZQ	0.9110
673	TZC	0.9109
674	PFB	0.9109
675	RHU	0.9107
676	C2A	0.9106
677	I1N	0.9106
678	ASC	0.9105
679	PLQ	0.9103
680	4AA	0.9102
681	265	0.9101
682	WOT	0.9100
683	IT2	0.9100
684	KIB	0.9099
685	3PF	0.9099
686	GCU	0.9098
687	N7P	0.9096
688	C21	0.9094
689	BK9	0.9092
690	BBF	0.9091
691	INE	0.9091
692	APY	0.9091
693	B60	0.9090
694	BZ3	0.9090
695	IF7	0.9090
696	7ZE	0.9088
697	X05	0.9088
698	FUB	0.9086
699	PCA	0.9086
700	M58	0.9083
701	NDM	0.9082
702	TCZ	0.9080
703	6HQ	0.9080
704	NPO	0.9080
705	ES2	0.9079
706	OW4	0.9079
707	V1L	0.9079
708	EKZ	0.9078
709	APZ	0.9077
710	4JU	0.9077
711	G3E	0.9076
712	UEG	0.9073
713	5VM	0.9073
714	GDE	0.9073
715	FPN	0.9072
716	E7Z	0.9072
717	ZBT	0.9071
718	2MH	0.9069
719	98J	0.9067
720	HBA	0.9066
721	MUA	0.9065
722	HBD	0.9065
723	XYL	0.9064
724	MWP	0.9064
725	NTZ	0.9061
726	51F	0.9060
727	2IM	0.9060
728	O7U	0.9057
729	ASN	0.9057
730	JFJ	0.9057
731	EYK	0.9056
732	RUU	0.9055
733	DIU	0.9054
734	HIO	0.9051
735	HYP	0.9051
736	273	0.9051
737	RPQ	0.9050
738	173	0.9049
739	MBG	0.9048
740	HAI	0.9048
741	PCR	0.9048
742	680	0.9046
743	F3B	0.9045
744	M2H	0.9044
745	BSX	0.9044
746	SF9	0.9043
747	HQE	0.9043
748	IPH	0.9043
749	CFF	0.9040
750	5CL	0.9039
751	HQD	0.9038
752	HA7	0.9037
753	LT2	0.9036
754	IP0	0.9034
755	LG4	0.9033
756	CN0	0.9031
757	IBF	0.9030
758	JAB	0.9030
759	ICO	0.9029
760	5XC	0.9027
761	QPR	0.9026
762	CGB	0.9026
763	SS2	0.9026
764	ASP	0.9026
765	UY7	0.9025
766	278	0.9024
767	SHA	0.9024
768	SRT	0.9024
769	DA1	0.9020
770	2AL	0.9020
771	9CL	0.9018
772	IHB	0.9017
773	BNS	0.9017
774	H76	0.9014
775	A13	0.9014
776	SRO	0.9014
777	MFU	0.9013
778	RSO	0.9013
779	SMV	0.9013
780	YHO	0.9012
781	PRY	0.9010
782	95Z	0.9010
783	GCB	0.9008
784	CIZ	0.9008
785	UAN	0.9007
786	1Y6	0.9007
787	NIZ	0.9006
788	826	0.9005
789	LER	0.9005
790	Z82	0.9005
791	JA8	0.9002
792	RB5	0.9002
793	PCI	0.9002
794	TIU	0.9002
795	PHB	0.9001
796	25R	0.9000
797	ISZ	0.8998
798	HZP	0.8996
799	9PO	0.8996
800	92K	0.8995
801	PAB	0.8995
802	SPV	0.8995
803	GTR	0.8994
804	LDU	0.8993
805	QSB	0.8993
806	3AP	0.8992
807	XHP	0.8991
808	NID	0.8991
809	P72	0.8989
810	MAQ	0.8988
811	4AP	0.8988
812	2AP	0.8987
813	44V	0.8986
814	1DU	0.8986
815	PXY	0.8984
816	4JT	0.8983
817	PBZ	0.8983
818	CFI	0.8983
819	SW7	0.8980
820	MBN	0.8979
821	UGC	0.8978
822	JZ4	0.8978
823	3SL	0.8978
824	AJV	0.8975
825	GOG	0.8974
826	FBB	0.8974
827	4MA	0.8974
828	MT5	0.8974
829	II6	0.8974
830	SVD	0.8974
831	B62	0.8974
832	5QY	0.8973
833	A2Q	0.8972
834	L60	0.8972
835	B24	0.8972
836	0N7	0.8970
837	174	0.8969
838	K2T	0.8968
839	FRU	0.8966
840	K17	0.8962
841	HRZ	0.8962
842	IFP	0.8962
843	EVA	0.8962
844	GOX	0.8961
845	J9T	0.8960
846	LFR	0.8959
847	1M2	0.8956
848	FB1	0.8953
849	XUL	0.8953
850	3R6	0.8950
851	4CH	0.8948
852	SKM	0.8948
853	G2H	0.8946
854	HNQ	0.8946
855	BEA	0.8945
856	GTZ	0.8945
857	0FO	0.8945
858	LYL	0.8942
859	PYJ	0.8942
860	SE2	0.8941
861	0LH	0.8941
862	M2K	0.8938
863	ADA	0.8936
864	TBS	0.8935
865	OTW	0.8935
866	HVK	0.8934
867	4Z4	0.8934
868	MR1	0.8934
869	URP	0.8934
870	FBW	0.8932
871	XCZ	0.8931
872	7EX	0.8931
873	SXS	0.8930
874	3FH	0.8929
875	2AK	0.8928
876	KIA	0.8928
877	0JD	0.8928
878	D48	0.8928
879	4VP	0.8928
880	PDC	0.8927
881	44W	0.8926
882	TFB	0.8925
883	1DJ	0.8922
884	JXN	0.8921
885	MB3	0.8921
886	ARW	0.8921
887	LGA	0.8921
888	DBX	0.8920
889	F31	0.8920
890	J5I	0.8919
891	GLT	0.8917
892	JND	0.8916
893	FGZ	0.8915
894	MAE	0.8915
895	OVP	0.8913
896	ZB1	0.8909
897	FA1	0.8909
898	ITN	0.8907
899	2KT	0.8905
900	2PG	0.8904
901	ZXD	0.8903
902	DQU	0.8902
903	7N0	0.8902
904	QX4	0.8900
905	14J	0.8898
906	QAT	0.8897
907	LKA	0.8897
908	B0D	0.8896
909	TSS	0.8896
910	AC6	0.8895
911	FBM	0.8895
912	9KT	0.8895
913	KP6	0.8894
914	HXX	0.8894
915	XIY	0.8894
916	TFU	0.8890
917	1DQ	0.8888
918	6ME	0.8887
919	SER	0.8887
920	TOF	0.8882
921	NK2	0.8882
922	QSH	0.8882
923	PRZ	0.8878
924	4HS	0.8877
925	THR	0.8876
926	717	0.8873
927	DSN	0.8873
928	4ME	0.8872
929	7D2	0.8871
930	BML	0.8871
931	NXA	0.8870
932	4MU	0.8869
933	32O	0.8867
934	MVL	0.8867
935	CRN	0.8865
936	7MU	0.8865
937	93B	0.8863
938	7ME	0.8862
939	0FN	0.8862
940	ZVO	0.8861
941	DGY	0.8861
942	6RQ	0.8859
943	EV0	0.8858
944	DEE	0.8857
945	GM7	0.8856
946	HSL	0.8856
947	QAS	0.8855
948	2A9	0.8855
949	GJS	0.8852
950	TTY	0.8852
951	HIS	0.8852
952	F12	0.8850
953	DTI	0.8849
954	GZ8	0.8848
955	YQA	0.8848
956	MXN	0.8845
957	6VD	0.8845
958	SOR	0.8845
959	GLY PRO	0.8844
960	K8X	0.8844
961	FA3	0.8843
962	GXE	0.8840
963	OEM	0.8839
964	KSW	0.8838
965	3AL	0.8836
966	TMH	0.8835
967	X0V	0.8835
968	IPB	0.8830
969	5DI	0.8830
970	VOH	0.8829
971	AH8	0.8828
972	MVN	0.8827
973	F9P	0.8826
974	LDP	0.8826
975	CEJ	0.8825
976	GTL	0.8825
977	GT0	0.8823
978	MMZ	0.8823
979	PEP	0.8820
980	DZX	0.8820
981	MS9	0.8813
982	FB2	0.8813
983	AIN	0.8812
984	PRF	0.8810
985	FBA	0.8810
986	JZ5	0.8810
987	MQN	0.8809
988	8CL	0.8808
989	MLI	0.8808
990	AS3	0.8807
991	PQ0	0.8806
992	DMI	0.8805
993	4JN	0.8805
994	N8Y	0.8805
995	KBB	0.8804
996	AEZ	0.8802
997	KJU	0.8802
998	AMG	0.8801
999	SF6	0.8798
1000	MLA	0.8798
1001	GIM	0.8797
1002	OK7	0.8797
1003	DXX	0.8795
1004	RMN	0.8795
1005	PHH	0.8794
1006	4AX	0.8794
1007	4XV	0.8792
1008	5RO	0.8791
1009	DNF	0.8790
1010	FQI	0.8790
1011	GLU	0.8789
1012	7B3	0.8787
1013	DAS	0.8786
1014	PSV	0.8784
1015	6JN	0.8783
1016	K5W	0.8783
1017	F9Y	0.8782
1018	MZ0	0.8782
1019	9RW	0.8780
1020	B2J	0.8780
1021	PHU	0.8779
1022	H8N	0.8778
1023	HSE	0.8777
1024	209	0.8776
1025	HYN	0.8776
1026	24T	0.8775
1027	IOL	0.8774
1028	H33	0.8773
1029	7WR	0.8773
1030	PMB	0.8773
1031	FCR	0.8773
1032	HTP	0.8772
1033	8XQ	0.8771
1034	5GU	0.8769
1035	4YO	0.8767
1036	J9Q	0.8767
1037	MZB	0.8766
1038	HIU	0.8765
1039	CXF	0.8765
1040	OMD	0.8764
1041	9X7	0.8763
1042	1DV	0.8761
1043	DMG	0.8761
1044	4JQ	0.8760
1045	TEO	0.8756
1046	GZL	0.8756
1047	QIC	0.8753
1048	40E	0.8752
1049	1U6	0.8752
1050	8OZ	0.8750
1051	DYA	0.8749
1052	4FH	0.8749
1053	3PY	0.8746
1054	JTH	0.8746
1055	DHS	0.8744
1056	PEL	0.8744
1057	GXY	0.8742
1058	GV9	0.8742
1059	4JL	0.8740
1060	PAV	0.8739
1061	SFU	0.8738
1062	M4T	0.8738
1063	9PY	0.8735
1064	XSP	0.8735
1065	EJZ	0.8735
1066	MZW	0.8735
1067	TPA	0.8733
1068	H7Y	0.8731
1069	069	0.8730
1070	TTO	0.8730
1071	QY9	0.8726
1072	MMA	0.8725
1073	ODO	0.8725
1074	ZZ8	0.8723
1075	4XS	0.8721
1076	DPZ	0.8719
1077	0TU	0.8716
1078	9X6	0.8716
1079	97T	0.8716
1080	GLL	0.8715
1081	NGO	0.8714
1082	FBG	0.8713
1083	HHN	0.8711
1084	23J	0.8705
1085	D3M	0.8704
1086	8ZE	0.8702
1087	O2A	0.8699
1088	R9Y	0.8699
1089	C2B	0.8697
1090	9YL	0.8696
1091	LI6	0.8695
1092	FLC	0.8694
1093	8WO	0.8692
1094	KG7	0.8691
1095	NVI	0.8691
1096	FAC	0.8689
1097	H6B	0.8688
1098	06B	0.8687
1099	BCU	0.8685
1100	45L	0.8685
1101	4TU	0.8683
1102	0HO	0.8683
1103	PKU	0.8682
1104	4P5	0.8680
1105	FBU	0.8678
1106	PEA	0.8677
1107	LNR	0.8676
1108	A65	0.8675
1109	E60	0.8673
1110	271	0.8672
1111	XIX	0.8663
1112	UFV	0.8663
1113	NVU	0.8662
1114	K34	0.8662
1115	2BG	0.8660
1116	3C1	0.8660
1117	RD4	0.8659
1118	Z5P	0.8658
1119	PX7	0.8657
1120	4SX	0.8656
1121	CEE	0.8652
1122	4JM	0.8651
1123	C5J	0.8651
1124	9FL	0.8648
1125	L99	0.8647
1126	EOL	0.8643
1127	SAN	0.8642
1128	K22	0.8641
1129	PAC	0.8640
1130	BVC	0.8640
1131	SIF	0.8631
1132	AAS	0.8629
1133	K6X	0.8623
1134	SC2	0.8622
1135	PIH	0.8622
1136	5NE	0.8618
1137	OA3	0.8615
1138	E3D	0.8613
1139	3C2	0.8610
1140	PBR	0.8606
1141	2FQ	0.8606
1142	KFH	0.8605
1143	K32	0.8603
1144	T9G	0.8601
1145	PBA	0.8598
1146	MJ2	0.8597
1147	CYS	0.8596
1148	0V5	0.8590
1149	HGW	0.8588
1150	XXP	0.8587
1151	0HN	0.8586
1152	Q7A	0.8586
1153	EDR	0.8584
1154	C2Y	0.8580
1155	TWO	0.8575
1156	2LY	0.8573
1157	MHK	0.8570
1158	42J	0.8565
1159	TSU	0.8560
1160	6NT	0.8560
1161	SYG	0.8559
1162	NCD	0.8550
1163	3NY	0.8550
1164	N2I	0.8547
1165	JXW	0.8546
1166	2ZM	0.8544
1167	B5D	0.8543
1168	PD2	0.8542
1169	091	0.8538

Ligand no: 2; Ligand: SR1; Similar ligands found: 883

No:	Ligand	Similarity coefficient
1	261	0.9484
2	FP1	0.9476
3	PRY	0.9456
4	JZ4	0.9451
5	1LN	0.9430
6	BSX	0.9409
7	2LP	0.9402
8	MSN	0.9399
9	3XX	0.9397
10	51F	0.9382
11	JFJ	0.9375
12	LDP	0.9366
13	B2J	0.9317
14	LYL	0.9271
15	R2B	0.9257
16	TZE	0.9253
17	TSS	0.9252
18	R1X	0.9247
19	ASC	0.9243
20	2AL	0.9240
21	EMZ	0.9227
22	J9T	0.9221
23	SFU	0.9218
24	SHA	0.9209
25	H7Y	0.9200
26	EV0	0.9200
27	ZZ3	0.9195
28	GLC	0.9192
29	KP6	0.9191
30	42J	0.9189
31	GOO	0.9184
32	24B	0.9179
33	MR1	0.9168
34	ASO	0.9167
35	AS3	0.9166
36	VNJ	0.9160
37	OMD	0.9160
38	JZ3	0.9160
39	3HP	0.9160
40	KOJ	0.9160
41	PEA	0.9159
42	ORO	0.9158
43	GZL	0.9156
44	4XR	0.9155
45	JZ7	0.9155
46	GIF	0.9154
47	GAB	0.9143
48	G4D	0.9140
49	OVV	0.9137
50	C2A	0.9133
51	PZI	0.9131
52	53C	0.9131
53	3HB	0.9129
54	AGK	0.9123
55	FYU	0.9123
56	BZ3	0.9120
57	JZ1	0.9120
58	AH8	0.9118
59	5OB	0.9118
60	DHK	0.9117
61	HMH	0.9116
62	IMR	0.9115
63	0R0	0.9114
64	069	0.9111
65	2XX	0.9107
66	2A7	0.9107
67	GDE	0.9105
68	NOJ	0.9103
69	MFU	0.9101
70	IFL	0.9098
71	RM1	0.9097
72	F9Y	0.9094
73	EOL	0.9089
74	HY1	0.9088
75	1P3	0.9088
76	TFU	0.9087
77	NOY	0.9087
78	PEL	0.9084
79	GAL	0.9079
80	8NY	0.9078
81	6LW	0.9077
82	GNL	0.9076
83	NSG	0.9076
84	NK	0.9075
85	G2F	0.9073
86	4FA	0.9072
87	8H8	0.9072
88	BMA	0.9072
89	NFM	0.9070
90	2DR	0.9070
91	ARW	0.9067
92	FK1	0.9067
93	ES9	0.9066
94	GLA	0.9066
95	YRL	0.9066
96	NSP	0.9066
97	CEE	0.9065
98	ISD	0.9065
99	H4N	0.9064
100	2BG	0.9062
101	4HM	0.9062
102	XIY	0.9062
103	DFB	0.9062
104	GTQ	0.9059
105	AEH	0.9059
106	IF7	0.9058
107	DOR	0.9056
108	271	0.9054
109	EUG	0.9049
110	T9G	0.9047
111	PRZ	0.9046
112	DGJ	0.9045
113	3AB	0.9045
114	J6W	0.9044
115	ZZT	0.9044
116	SYG	0.9043
117	IP0	0.9042
118	MAN	0.9041
119	5XC	0.9040
120	3AL	0.9038
121	47J	0.9037
122	GIV	0.9037
123	8ZE	0.9033
124	V55	0.9031
125	1M2	0.9031
126	1P8	0.9031
127	BGC	0.9030
128	CXF	0.9025
129	SKM	0.9024
130	11S	0.9023
131	149	0.9023
132	I3A	0.9021
133	AX3	0.9021
134	RNT	0.9021
135	NYL	0.9020
136	286	0.9020
137	RUU	0.9018
138	BDF	0.9017
139	GYE	0.9017
140	TL6	0.9016
141	AEF	0.9015
142	DMJ	0.9014
143	HMU	0.9012
144	82I	0.9010
145	T6C	0.9007
146	5RG	0.9007
147	4P0	0.9005
148	D1X	0.9005
149	URS	0.9004
150	0LH	0.9003
151	LGC	0.9003
152	AMG	0.9002
153	KJU	0.9001
154	7WG	0.9001
155	XQG	0.9000
156	XYP	0.8997
157	BZX	0.8996
158	8GC	0.8996
159	8TX	0.8995
160	XUL	0.8995
161	SAL	0.8993
162	BE2	0.8993
163	ES2	0.8991
164	R9S	0.8991
165	1WD	0.8991
166	7MU	0.8990
167	9TZ	0.8989
168	268	0.8988
169	TBP	0.8988
170	DHY	0.8985
171	IFM	0.8981
172	3BZ	0.8981
173	VGD	0.8978
174	MET	0.8976
175	KTA	0.8974
176	4VP	0.8973
177	2HO	0.8971
178	8GL	0.8969
179	TH7	0.8969
180	4CS	0.8969
181	42C	0.8968
182	MZB	0.8968
183	MNM	0.8966
184	S24	0.8966
185	4XV	0.8966
186	F81	0.8965
187	LCN	0.8964
188	5MI	0.8963
189	FX1	0.8960
190	INO	0.8959
191	BNF	0.8958
192	HBA	0.8958
193	YHO	0.8958
194	Q88	0.8957
195	4NC	0.8957
196	2H5	0.8957
197	SYN	0.8956
198	OXZ	0.8955
199	DBH	0.8955
200	4P5	0.8954
201	HSX	0.8952
202	AZF	0.8951
203	X6X	0.8950
204	2A9	0.8949
205	OHP	0.8949
206	FAN	0.8948
207	3DM	0.8947
208	5MB	0.8947
209	2HC	0.8947
210	S76	0.8946
211	HQ9	0.8945
212	5HY	0.8945
213	KDV	0.8944
214	5GU	0.8944
215	263	0.8944
216	I1E	0.8944
217	FEH	0.8943
218	3Z7	0.8942
219	URC	0.8941
220	7HQ	0.8941
221	FRU	0.8941
222	MED	0.8941
223	3SK	0.8940
224	Q6T	0.8940
225	ES6	0.8937
226	DHB	0.8937
227	6NT	0.8936
228	KG1	0.8935
229	4ME	0.8935
230	4JM	0.8935
231	R8S	0.8935
232	PAC	0.8935
233	9KH	0.8933
234	1F1	0.8933
235	IAC	0.8933
236	BEZ	0.8932
237	RBL	0.8930
238	FUL	0.8930
239	3C4	0.8929
240	SF6	0.8929
241	DGL	0.8928
242	P7Y	0.8928
243	0MK	0.8928
244	92P	0.8927
245	12M	0.8926
246	ARB	0.8926
247	GLU	0.8925
248	HGQ	0.8925
249	6AI	0.8925
250	4M4	0.8923
251	1DW	0.8922
252	36R	0.8922
253	3NT	0.8922
254	717	0.8921
255	7N0	0.8921
256	ABI	0.8919
257	2FG	0.8918
258	4M0	0.8918
259	5M0	0.8918
260	LNR	0.8917
261	3U4	0.8917
262	MYJ	0.8917
263	93K	0.8916
264	260	0.8916
265	LRH	0.8915
266	8WT	0.8915
267	3OC	0.8915
268	ORN	0.8913
269	HX3	0.8913
270	1DJ	0.8912
271	GAF	0.8912
272	54G	0.8910
273	M4T	0.8909
274	7MH	0.8909
275	GLN	0.8905
276	G3F	0.8905
277	NIZ	0.8905
278	ES5	0.8905
279	JA8	0.8905
280	4ZC	0.8905
281	DOB	0.8904
282	H76	0.8904
283	CLW	0.8904
284	2LY	0.8904
285	RBJ	0.8904
286	258	0.8904
287	HYA	0.8903
288	DI6	0.8902
289	2FY	0.8902
290	FUC	0.8902
291	FA3	0.8900
292	B55	0.8900
293	P3K	0.8897
294	9CL	0.8897
295	EDG	0.8897
296	MS9	0.8895
297	8S0	0.8894
298	3A9	0.8893
299	I4B	0.8892
300	XYS	0.8892
301	RD4	0.8892
302	BOA	0.8891
303	2ZM	0.8890
304	DEE	0.8889
305	8IG	0.8888
306	ZWZ	0.8888
307	DIE	0.8887
308	GAG	0.8887
309	JKE	0.8885
310	F0J	0.8885
311	1GN	0.8885
312	MQB	0.8884
313	2K4	0.8884
314	4XS	0.8882
315	GBD	0.8882
316	3NY	0.8881
317	ROR	0.8881
318	3DO	0.8881
319	MBG	0.8881
320	ABV	0.8880
321	463	0.8879
322	3HA	0.8879
323	0HO	0.8878
324	N2I	0.8878
325	NLE	0.8878
326	KMT	0.8876
327	XAN	0.8876
328	QY9	0.8875
329	KYD	0.8875
330	XCZ	0.8874
331	BHO	0.8874
332	278	0.8874
333	DIG	0.8873
334	23A	0.8873
335	14O	0.8872
336	5MK	0.8872
337	APY	0.8872
338	ISZ	0.8871
339	KBG	0.8871
340	JDN	0.8870
341	ICO	0.8870
342	AKH	0.8869
343	MNN	0.8869
344	DGN	0.8869
345	GXL	0.8868
346	F60	0.8867
347	4FS	0.8866
348	QBK	0.8866
349	RNS	0.8866
350	A29	0.8866
351	PYJ	0.8866
352	SRO	0.8865
353	FUD	0.8864
354	Z82	0.8864
355	GJZ	0.8864
356	MO8	0.8863
357	TLA	0.8863
358	FA0	0.8862
359	3BU	0.8862
360	264	0.8862
361	GCS	0.8861
362	GUN	0.8861
363	MSE	0.8860
364	5VM	0.8860
365	HCS	0.8860
366	P9P	0.8859
367	P80	0.8859
368	B24	0.8859
369	YIO	0.8858
370	URA	0.8858
371	34D	0.8858
372	5RN	0.8856
373	LDU	0.8856
374	XLS	0.8856
375	XYL	0.8855
376	RB5	0.8855
377	2EH	0.8855
378	4SV	0.8855
379	IPB	0.8854
380	ABN	0.8854
381	5B1	0.8853
382	MMA	0.8853
383	FBV	0.8853
384	0HN	0.8852
385	NVU	0.8852
386	23J	0.8852
387	DHR	0.8851
388	5H1	0.8851
389	3MB	0.8851
390	BP9	0.8850
391	IPZ	0.8850
392	SJ5	0.8850
393	1AB	0.8850
394	03V	0.8850
395	BCU	0.8850
396	BTY	0.8849
397	AKG	0.8849
398	GTR	0.8847
399	MXN	0.8847
400	1XM	0.8846
401	WCE	0.8846
402	SVD	0.8846
403	QDK	0.8845
404	26D	0.8844
405	5CU	0.8844
406	ET2	0.8844
407	6HQ	0.8843
408	F06	0.8842
409	2EC	0.8842
410	3F0	0.8841
411	2AQ	0.8841
412	SAF	0.8841
413	TSR	0.8841
414	1P7	0.8840
415	OGA	0.8839
416	RM4	0.8838
417	9DG	0.8838
418	2CL	0.8838
419	VNL	0.8838
420	SSB	0.8838
421	5AC	0.8836
422	O7U	0.8835
423	0JD	0.8835
424	LFR	0.8834
425	OXQ	0.8833
426	PRA	0.8833
427	DZX	0.8833
428	N4B	0.8833
429	RIP	0.8832
430	YH7	0.8831
431	M2H	0.8830
432	2MI	0.8827
433	F31	0.8827
434	HSM	0.8826
435	ALL	0.8826
436	LT1	0.8826
437	0CU	0.8825
438	XAZ	0.8825
439	6PC	0.8825
440	XX2	0.8824
441	4JT	0.8824
442	SOE	0.8824
443	FA1	0.8823
444	27Y	0.8823
445	DHS	0.8823
446	SHG	0.8823
447	NEQ	0.8822
448	PXL	0.8822
449	XQ0	0.8822
450	9TW	0.8819
451	282	0.8819
452	CRS	0.8819
453	EYK	0.8819
454	PBC	0.8817
455	CHB	0.8817
456	1PT	0.8817
457	5JL	0.8817
458	DQA	0.8816
459	ESX	0.8816
460	FBB	0.8815
461	IFG	0.8814
462	JAW	0.8814
463	J9N	0.8813
464	ODO	0.8810
465	5JQ	0.8810
466	COU	0.8810
467	3M0	0.8810
468	259	0.8809
469	OCH	0.8808
470	FBM	0.8808
471	YTX	0.8807
472	FH2	0.8804
473	YPN	0.8804
474	HBX	0.8804
475	F12	0.8802
476	CFI	0.8802
477	OHG	0.8802
478	IUR	0.8801
479	NBE	0.8800
480	NPO	0.8800
481	K2T	0.8799
482	5HN	0.8798
483	NVA	0.8797
484	IHB	0.8797
485	AMC	0.8797
486	BHA	0.8797
487	PZM	0.8797
488	4WL	0.8796
489	PZA	0.8796
490	LZM	0.8796
491	42A	0.8796
492	HPT	0.8796
493	FDK	0.8794
494	4AA	0.8794
495	BZ2	0.8793
496	RSO	0.8793
497	CTL	0.8790
498	PNZ	0.8790
499	5NU	0.8789
500	F9P	0.8788
501	MUC	0.8788
502	CN0	0.8787
503	H42	0.8787
504	AFR	0.8787
505	MD0	0.8786
506	1XX	0.8785
507	ADA	0.8785
508	MLT	0.8784
509	UAN	0.8784
510	JND	0.8784
511	BR9	0.8784
512	GLY PRO	0.8784
513	FE DB1	0.8783
514	ESP	0.8782
515	TYL	0.8782
516	FPI	0.8780
517	LXC	0.8780
518	OVP	0.8780
519	PHU	0.8779
520	FBA	0.8778
521	VOH	0.8777
522	PXM	0.8776
523	C2Y	0.8776
524	M0Q	0.8776
525	6CS	0.8775
526	OW4	0.8774
527	FCA	0.8774
528	IDH	0.8774
529	XM0	0.8772
530	7WV	0.8772
531	SX1	0.8772
532	NNO	0.8772
533	MZG	0.8771
534	FBW	0.8771
535	3R6	0.8769
536	75K	0.8769
537	MRW	0.8769
538	6F0	0.8768
539	JTH	0.8768
540	II6	0.8767
541	N7I	0.8767
542	BAM	0.8767
543	TNX	0.8766
544	5NI	0.8765
545	JB8	0.8764
546	7ME	0.8764
547	DJN	0.8763
548	TAG	0.8763
549	QSC	0.8763
550	GLF	0.8762
551	WBU	0.8761
552	OVM	0.8761
553	5UC	0.8761
554	CWJ	0.8760
555	AX7	0.8760
556	WOO	0.8759
557	PY7	0.8758
558	PHE	0.8758
559	LYS	0.8758
560	QUS	0.8756
561	UEG	0.8756
562	QIC	0.8755
563	449	0.8752
564	6NI	0.8751
565	PSV	0.8750
566	URF	0.8749
567	9X7	0.8749
568	BCP	0.8749
569	PO6	0.8749
570	RP5	0.8748
571	9ZE	0.8748
572	RHU	0.8748
573	Q24	0.8748
574	XX3	0.8747
575	FOT	0.8746
576	MZW	0.8746
577	HY3	0.8746
578	NMJ	0.8745
579	HH5	0.8745
580	CIY	0.8743
581	YTB	0.8743
582	MWJ	0.8743
583	AOS	0.8742
584	6VD	0.8742
585	7VS	0.8741
586	4PW	0.8740
587	SNE	0.8740
588	HC4	0.8740
589	HHQ	0.8740
590	4CL	0.8739
591	60P	0.8739
592	8WO	0.8738
593	DLY	0.8737
594	BEW	0.8736
595	BDP	0.8736
596	IV2	0.8734
597	4JJ	0.8733
598	270	0.8730
599	6M4	0.8730
600	FUF	0.8729
601	LSQ	0.8729
602	PHB	0.8727
603	ANN	0.8727
604	H8N	0.8726
605	PA1	0.8726
606	AEG	0.8725
607	C2B	0.8725
608	IJZ	0.8724
609	GRF	0.8723
610	ZXD	0.8723
611	SRT	0.8723
612	R8A	0.8723
613	DE5	0.8722
614	XRG	0.8722
615	HEW	0.8721
616	GT0	0.8720
617	NLP	0.8719
618	BK9	0.8719
619	6FZ	0.8719
620	2HU	0.8718
621	GTL	0.8717
622	HSE	0.8717
623	MCT	0.8716
624	ICF	0.8715
625	7B4	0.8714
626	5JC	0.8713
627	GOJ	0.8713
628	0P6	0.8713
629	VAH	0.8712
630	SS1	0.8712
631	XQI	0.8711
632	EDR	0.8710
633	DAL DAL	0.8710
634	M58	0.8709
635	BPN	0.8708
636	2AC	0.8708
637	4HO	0.8708
638	C9E	0.8708
639	7W4	0.8707
640	BRT	0.8707
641	JIF	0.8707
642	DFU	0.8706
643	2D0	0.8706
644	AZG	0.8705
645	3MG	0.8705
646	5RO	0.8705
647	57O	0.8704
648	M1Q	0.8704
649	HXX	0.8704
650	B3R	0.8703
651	CAX	0.8702
652	G5V	0.8702
653	3HM	0.8700
654	CIT	0.8699
655	FCB	0.8699
656	NGT	0.8699
657	1MR	0.8699
658	JZ2	0.8698
659	AZA	0.8697
660	4JO	0.8697
661	8XL	0.8697
662	PBZ	0.8697
663	OW7	0.8696
664	TDR	0.8696
665	MPH	0.8696
666	2YU	0.8695
667	SDD	0.8694
668	ALE	0.8694
669	AZ8	0.8694
670	SOR	0.8693
671	2F6	0.8693
672	LMR	0.8691
673	B57	0.8691
674	VXX	0.8690
675	XBZ	0.8690
676	FHB	0.8690
677	61M	0.8690
678	PKU	0.8688
679	4HC	0.8688
680	PE0	0.8687
681	TCA	0.8687
682	DUC	0.8685
683	M1E	0.8685
684	XIZ	0.8684
685	OPE	0.8684
686	4ZA	0.8684
687	NCD	0.8683
688	4ZE	0.8682
689	AIN	0.8682
690	280	0.8681
691	428	0.8680
692	7C3	0.8680
693	XYD	0.8680
694	NGW	0.8680
695	948	0.8679
696	GOX	0.8678
697	MEW	0.8677
698	6RQ	0.8677
699	A2F	0.8676
700	K82	0.8675
701	4JL	0.8675
702	NGA	0.8674
703	R9Y	0.8673
704	FLC	0.8672
705	M3T	0.8672
706	Y8I	0.8672
707	ILE	0.8672
708	CXP	0.8671
709	141	0.8671
710	PCA	0.8671
711	LAO	0.8670
712	F05	0.8670
713	K7M	0.8670
714	CFA	0.8670
715	4A3	0.8670
716	6AP	0.8670
717	4HP	0.8669
718	TT4	0.8669
719	J9W	0.8669
720	5QX	0.8667
721	DTL	0.8667
722	GO2	0.8667
723	F4E	0.8667
724	TH0	0.8666
725	2TQ	0.8666
726	LPK	0.8665
727	HBD	0.8664
728	9YL	0.8664
729	GLO	0.8663
730	3CH	0.8663
731	RAT	0.8663
732	LYN	0.8662
733	CKU	0.8662
734	MPV	0.8661
735	TM7	0.8661
736	AQO	0.8660
737	FK8	0.8660
738	XXG	0.8659
739	M5K	0.8659
740	H3M	0.8657
741	505	0.8657
742	69O	0.8656
743	8U3	0.8656
744	ICB	0.8656
745	R20	0.8655
746	Q07	0.8655
747	2HQ	0.8655
748	A7W	0.8655
749	8EZ	0.8654
750	293	0.8653
751	SS2	0.8653
752	4NG	0.8653
753	3Z8	0.8652
754	15N	0.8652
755	6M1	0.8650
756	4NM	0.8649
757	BBK	0.8649
758	95Z	0.8648
759	HT4	0.8648
760	K3Q	0.8647
761	M4E	0.8647
762	SF9	0.8647
763	M1A	0.8646
764	2BX	0.8644
765	4MA	0.8644
766	RMN	0.8643
767	E5X	0.8643
768	DMV	0.8643
769	ICP	0.8642
770	HYP	0.8641
771	52C	0.8641
772	TLM	0.8640
773	X09	0.8640
774	94B	0.8639
775	5WV	0.8639
776	7D2	0.8639
777	DIN	0.8638
778	94W	0.8637
779	7NI	0.8637
780	HL4	0.8636
781	PYF	0.8636
782	HPY	0.8636
783	5OO	0.8634
784	CWM	0.8633
785	GRE	0.8633
786	4YO	0.8632
787	HA5	0.8631
788	QM1	0.8630
789	DBX	0.8628
790	BNS	0.8628
791	J0Z	0.8628
792	E7S	0.8626
793	4H2	0.8624
794	285	0.8623
795	0F9	0.8623
796	CWS	0.8622
797	HJP	0.8621
798	HDH	0.8620
799	DX4	0.8620
800	P4B	0.8620
801	PBA	0.8619
802	8NB	0.8618
803	HHT	0.8616
804	35C	0.8616
805	HCI	0.8615
806	ZGL	0.8614
807	DBJ	0.8614
808	AJ2	0.8613
809	RJY	0.8612
810	SEP	0.8611
811	NLA	0.8610
812	BVF	0.8609
813	BML	0.8607
814	CIG	0.8606
815	OTR	0.8606
816	0FN	0.8606
817	TTL	0.8605
818	8SZ	0.8603
819	TAR	0.8603
820	HIO	0.8602
821	4TU	0.8601
822	5QY	0.8600
823	1Y6	0.8600
824	KJY	0.8599
825	34V	0.8599
826	2CZ	0.8597
827	DNF	0.8596
828	URQ	0.8595
829	B53	0.8595
830	3ID	0.8594
831	1A7	0.8593
832	FPY	0.8593
833	PSJ	0.8592
834	FDB	0.8591
835	ZON	0.8588
836	TSU	0.8585
837	IOS	0.8584
838	KT7	0.8583
839	M6W	0.8581
840	ES0	0.8581
841	E7Z	0.8581
842	R2P	0.8580
843	BPW	0.8579
844	F69	0.8579
845	ONR	0.8576
846	AXM	0.8575
847	GZQ	0.8572
848	L5V	0.8571
849	AC0	0.8570
850	DRL	0.8568
851	MLE	0.8567
852	RCO	0.8565
853	LG5	0.8565
854	FHN	0.8565
855	TPA	0.8565
856	THE	0.8561
857	DTU	0.8561
858	SYC	0.8561
859	SEJ	0.8561
860	MHO	0.8561
861	NGO	0.8560
862	LG3	0.8559
863	2ZX	0.8556
864	15E	0.8555
865	SW7	0.8554
866	HLZ	0.8552
867	7A8	0.8552
868	PAF	0.8551
869	6DP	0.8550
870	UNJ	0.8550
871	PMF	0.8549
872	NAG	0.8548
873	KUF	0.8543
874	2HG	0.8541
875	9R5	0.8540
876	GXY	0.8536
877	EXO	0.8532
878	CRN	0.8528
879	MEV	0.8527
880	173	0.8524
881	2MN	0.8517
882	2CK	0.8515
883	E1P	0.8513

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

Pocket No.: 1; Query (leader) PDB : 4WKC; Ligand: BIG; Similar sites found with APoc: 4

This union binding pocket(no: 1) in the query (biounit: 4wkc.bio1) has 50 residues
No:	Leader PDB	Ligand	Sequence Similarity
1	3LGS	ADE	32.2449
2	3LGS	SAH	32.2449
3	3LGS	ADE	32.2449
4	3LGS	SAH	32.2449

Pocket No.: 2; Query (leader) PDB : 4WKC; Ligand: BIG; 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: 4wkc.bio1) has 50 residues
No:	Leader PDB	Ligand	Sequence Similarity

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