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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
3tyz	2.07 Å	EC: 2.5.1.15	CRYSTAL STRUCTURE OF THE YERSINIA PESTIS DIHYDROPTEROATE SYN WITH SUBSTRATE TRANSITION STATE COMPLEX.	YERSINIA PESTIS	DIHYDROPTEROATE SYNTHASE TRANSITION STATE COMPLEX PABA TITRANSFERASE-TRANSFERASE SUBSTRATE COMPLEX
Ref.:	CATALYSIS AND SULFA DRUG RESISTANCE IN DIHYDROPTERO SYNTHASE. SCIENCE V. 335 1110 2012

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	Molecular Weight (Da)	Formula	SMILES
MG	A:281; B:281;	Part of Protein; Part of Protein;	none; none;	submit data	24.305	Mg	[Mg+2...
PAB	A:280; B:280;	Valid; Valid;	none; none;	submit data	137.136	C7 H7 N O2	c1cc(...
POP	A:279; B:279;	Invalid; Invalid;	none; none;	submit data	175.959	H2 O7 P2	O[P@@...
XHP	A:278; B:278;	Valid; Valid;	none; none;	submit data	177.163	C7 H7 N5 O	C=C1C...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
3TYZ	2.07 Å	EC: 2.5.1.15	CRYSTAL STRUCTURE OF THE YERSINIA PESTIS DIHYDROPTEROATE SYN WITH SUBSTRATE TRANSITION STATE COMPLEX.	YERSINIA PESTIS	DIHYDROPTEROATE SYNTHASE TRANSITION STATE COMPLEX PABA TITRANSFERASE-TRANSFERASE SUBSTRATE COMPLEX
Ref.:	CATALYSIS AND SULFA DRUG RESISTANCE IN DIHYDROPTERO SYNTHASE. SCIENCE V. 335 1110 2012

Members (3)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 8 families.
1	3TYZ	-	PAB	C7 H7 N O2	c1cc(ccc1C....
2	3TZF	-	HH2	C7 H9 N5 O8 P2	c1c(nc2c(n....
3	5JQ9	-	6MB	C18 H18 N8 O4 S	Cc1c(noc1N....

70% Homology Family (16)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 7 families.
1	1AJ0	-	SAN	C6 H8 N2 O2 S	c1cc(ccc1N....
2	5U10	-	PT1	C14 H12 N6 O3	c1cc(ccc1C....
3	5U0W	-	9MG	C6 H7 N5 O	Cn1cnc2c1n....
4	5U0V	-	7VJ	C5 H7 N5 O2	CNC1=C(C(=....
5	5U14	-	7PV	C13 H14 N6 O3 S2	c1cc(ccc1C....
6	5U0Z	-	7PM	C13 H11 N5 O3 S	c1ccc(cc1)....
7	5V7A	-	8Y7	C8 H9 N5 O3 S	Cn1c2c(nc1....
8	5U0Y	-	7PJ	C7 H7 N5 O3 S	C(C(=O)O)S....
9	5V79	-	8Y4	C14 H14 N6 O2 S	Cn1c2c(nc1....
10	5U13	-	YH5	C14 H13 N5 O3 S	COc1ccc(cc....
11	5U11	-	7PS	C8 H10 N6 O2 S	CNC(=O)CSc....
12	5U12	-	5RU	C12 H10 F N5 O S	c1ccc(c(c1....
13	1AJ2	-	2PH	C7 H11 N5 O8 P2	C1C(=NC2=C....
14	3TYZ	-	PAB	C7 H7 N O2	c1cc(ccc1C....
15	3TZF	-	HH2	C7 H9 N5 O8 P2	c1c(nc2c(n....
16	5JQ9	-	6MB	C18 H18 N8 O4 S	Cc1c(noc1N....

50% Homology Family (46)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 2 families.
1	1AJ0	-	SAN	C6 H8 N2 O2 S	c1cc(ccc1N....
2	5U10	-	PT1	C14 H12 N6 O3	c1cc(ccc1C....
3	5U0W	-	9MG	C6 H7 N5 O	Cn1cnc2c1n....
4	5U0V	-	7VJ	C5 H7 N5 O2	CNC1=C(C(=....
5	5U14	-	7PV	C13 H14 N6 O3 S2	c1cc(ccc1C....
6	5U0Z	-	7PM	C13 H11 N5 O3 S	c1ccc(cc1)....
7	5V7A	-	8Y7	C8 H9 N5 O3 S	Cn1c2c(nc1....
8	5U0Y	-	7PJ	C7 H7 N5 O3 S	C(C(=O)O)S....
9	5V79	-	8Y4	C14 H14 N6 O2 S	Cn1c2c(nc1....
10	5U13	-	YH5	C14 H13 N5 O3 S	COc1ccc(cc....
11	5U11	-	7PS	C8 H10 N6 O2 S	CNC(=O)CSc....
12	5U12	-	5RU	C12 H10 F N5 O S	c1ccc(c(c1....
13	1AJ2	-	2PH	C7 H11 N5 O8 P2	C1C(=NC2=C....
14	4D8Z	Kd = 0.51 uM	0J2	C10 H11 N5 O4	C[C@H](CC(....
15	4DB7	Kd = 0.273 uM	Z25	C9 H9 N5 O4	C(CC(=O)O)....
16	4D8A	-	0HY	C11 H13 N5 O4	C[C@H](CC(....
17	4DAF	Kd = 0.076 uM	0J4	C9 H9 N5 O4	C[C@H](C1=....
18	3H22	ic50 = 8 uM	B53	C4 H5 N5 O2	C1(=C(N=C(....
19	4NIL	-	2O8	C8 H6 F3 N O S	c1cc(ccc1C....
20	1TX2	-	680	C5 H7 N5 O3	CNC1=C(C(=....
21	1TWW	-	HH2	C7 H9 N5 O8 P2	c1c(nc2c(n....
22	3TYE	-	XHP	C7 H7 N5 O	C=C1CN=C2C....
23	3H2M	ic50 = 215 uM	B61	C11 H17 N5 O2	CC(C)(CC1=....
24	3H24	-	B55	C5 H5 N5 O S	c12c([nH]c....
25	3TYC	-	XHP	C7 H7 N5 O	C=C1CN=C2C....
26	3H2F	ic50 = 86.7 uM	B60	C7 H9 N5 O	CN1CC=NC2=....
27	1TX0	-	PT1	C14 H12 N6 O3	c1cc(ccc1C....
28	3H21	ic50 = 19.8 uM	B52	C10 H11 N5 O4	C[C@H](C1=....
29	4D9P	ic50 = 145 uM	Z17	C11 H13 N5 O4	C[C@H](CC(....
30	3H26	ic50 = 32.4 uM	B56	C8 H9 N5 O3	CN1CC(=NC2....
31	3TYD	-	XHP	C7 H7 N5 O	C=C1CN=C2C....
32	4DAI	Kd = 110 nM	0J5	C8 H7 N5 O4	C(C1=NNC2=....
33	4NHV	-	2O6	C8 H5 F3 N2 O	c1cc2c(cc1....
34	3H2N	ic50 = 212.6 uM	B62	C7 H11 N5 O	C[C@@H]1CN....
35	4NL1	-	Z13	C16 H11 F6 N	c1cc(ccc1C....
36	3H23	ic50 = 19.3 uM	B54	C14 H15 N5 O5	c1cc(ccc1C....
37	3H2A	ic50 = 108.9 uM	B57	C4 H5 N5 O3	C1(=C(N=C(....
38	4NIR	-	6DH	C11 H11 F3 N2 O	c1cc2c(cc1....
39	1EYE	-	PMM	C7 H8 N5 O5 P	c1c(nc2c(n....
40	1AD4	-	HH2	C7 H9 N5 O8 P2	c1c(nc2c(n....
41	6CLV	-	6MB	C18 H18 N8 O4 S	Cc1c(noc1N....
42	2VEG	-	PMM	C7 H8 N5 O5 P	c1c(nc2c(n....
43	3TYZ	-	PAB	C7 H7 N O2	c1cc(ccc1C....
44	3TZF	-	HH2	C7 H9 N5 O8 P2	c1c(nc2c(n....
45	5JQ9	-	6MB	C18 H18 N8 O4 S	Cc1c(noc1N....
46	2Y5S	-	78H	C14 H14 N6 O3	c1cc(ccc1C....

Polypharmacology

Similar Ligands (2D)

Ligand no: 1; Ligand: PAB; Similar ligands found: 4

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	PAB	1	1
2	LQ2	0.517241	0.666667
3	GAB	0.4375	1
4	VBC	0.414634	0.863636

Ligand no: 2; Ligand: XHP; Similar ligands found: 1

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	XHP	1	1

Similar Ligands (3D)

Ligand no: 1; Ligand: PAB; Similar ligands found: 1191

No:	Ligand	Similarity coefficient
1	PBZ	1.0000
2	NPO	1.0000
3	PHB	1.0000
4	HBD	1.0000
5	826	1.0000
6	4MA	1.0000
7	SW7	1.0000
8	P72	1.0000
9	1Y6	1.0000
10	174	1.0000
11	AC6	1.0000
12	JZ3	1.0000
13	Z82	0.9951
14	4NC	0.9826
15	4BZ	0.9819
16	E5X	0.9803
17	BEZ	0.9801
18	HBA	0.9794
19	XX2	0.9787
20	4P5	0.9786
21	JLZ	0.9786
22	ANN	0.9785
23	DOB	0.9772
24	BHA	0.9767
25	DHB	0.9764
26	BEN	0.9763
27	FA0	0.9762
28	HDH	0.9762
29	AMH	0.9754
30	JAE	0.9753
31	4VP	0.9749
32	NCA	0.9749
33	NIO	0.9748
34	NNO	0.9746
35	4A3	0.9746
36	2HO	0.9745
37	BPN	0.9745
38	FHB	0.9744
39	5CU	0.9743
40	4M0	0.9742
41	PBC	0.9738
42	3HM	0.9737
43	5NU	0.9736
44	FCR	0.9736
45	4NM	0.9732
46	INO	0.9731
47	93K	0.9726
48	P9P	0.9724
49	BAM	0.9723
50	MYJ	0.9719
51	6PC	0.9717
52	UNU	0.9715
53	FQI	0.9714
54	BZ3	0.9713
55	PNZ	0.9713
56	4WL	0.9707
57	YCP	0.9704
58	SN4	0.9703
59	QSC	0.9701
60	4ZA	0.9700
61	2K4	0.9696
62	OTR	0.9695
63	CHB	0.9689
64	9TW	0.9689
65	FBA	0.9686
66	5H1	0.9683
67	14O	0.9682
68	AC0	0.9681
69	5OB	0.9680
70	ABV	0.9678
71	F60	0.9676
72	NTN	0.9674
73	AAS	0.9671
74	5MI	0.9668
75	PHU	0.9668
76	RSO	0.9661
77	BE7	0.9660
78	6AI	0.9659
79	4JL	0.9658
80	2MI	0.9652
81	AX7	0.9650
82	FBS	0.9650
83	TSU	0.9649
84	SS1	0.9647
85	BNS	0.9646
86	QSB	0.9645
87	SAN	0.9644
88	NBZ	0.9643
89	JZ7	0.9643
90	PZA	0.9642
91	270	0.9642
92	IHB	0.9641
93	2AQ	0.9639
94	4J8	0.9639
95	ET2	0.9630
96	03V	0.9625
97	4FS	0.9623
98	11S	0.9619
99	VGL	0.9618
100	4JM	0.9618
101	CFI	0.9615
102	717	0.9612
103	IPB	0.9611
104	TH7	0.9610
105	5MB	0.9607
106	JB5	0.9605
107	ES5	0.9603
108	SRT	0.9603
109	5XC	0.9602
110	OCH	0.9599
111	COU	0.9598
112	GUA	0.9596
113	P92	0.9592
114	259	0.9592
115	ISZ	0.9590
116	M58	0.9590
117	H8N	0.9588
118	BZX	0.9581
119	H42	0.9581
120	FBB	0.9576
121	CLW	0.9575
122	XM0	0.9575
123	AMS	0.9572
124	TPA	0.9572
125	BHO	0.9569
126	OAA	0.9567
127	H4N	0.9565
128	K2T	0.9562
129	FK1	0.9560
130	FEH	0.9554
131	FAN	0.9552
132	ES9	0.9552
133	NIZ	0.9552
134	8WO	0.9548
135	MLT	0.9545
136	OK7	0.9544
137	M4T	0.9543
138	K34	0.9543
139	DHR	0.9542
140	36R	0.9542
141	AEF	0.9542
142	NPY	0.9539
143	TYL	0.9536
144	2CK	0.9536
145	QUZ	0.9532
146	ES2	0.9528
147	C2B	0.9528
148	XQ0	0.9527
149	SAL	0.9527
150	BE2	0.9526
151	2ZM	0.9523
152	AMC	0.9523
153	GJZ	0.9518
154	S2G	0.9516
155	1M2	0.9514
156	7WG	0.9511
157	3PF	0.9509
158	3ID	0.9506
159	5WV	0.9500
160	4JT	0.9499
161	67N	0.9496
162	DYA	0.9496
163	UGC	0.9493
164	PAC	0.9493
165	8NY	0.9489
166	0HN	0.9487
167	M3H	0.9485
168	6NI	0.9482
169	6RQ	0.9481
170	6NT	0.9481
171	3NY	0.9481
172	1P8	0.9479
173	0HO	0.9479
174	4XR	0.9479
175	FBM	0.9478
176	4FA	0.9476
177	YRL	0.9474
178	HY1	0.9474
179	2HU	0.9473
180	5NI	0.9473
181	TTL	0.9472
182	MS9	0.9471
183	PIY	0.9470
184	ODO	0.9470
185	4AA	0.9467
186	3U4	0.9465
187	MSR	0.9464
188	IT2	0.9463
189	5QY	0.9462
190	HC4	0.9462
191	4SV	0.9461
192	XIY	0.9460
193	RB5	0.9460
194	XYL	0.9460
195	ES7	0.9459
196	FYU	0.9458
197	TIU	0.9455
198	ES6	0.9454
199	VGD	0.9452
200	F9P	0.9451
201	M1A	0.9449
202	14J	0.9449
203	SKM	0.9449
204	KJH	0.9446
205	3A9	0.9445
206	1F1	0.9445
207	I1E	0.9442
208	PIM	0.9442
209	AL0	0.9442
210	5VM	0.9441
211	LMR	0.9441
212	PZM	0.9441
213	MQN	0.9438
214	GLU	0.9438
215	CXF	0.9434
216	JAW	0.9432
217	LDP	0.9431
218	PRO	0.9429
219	1PT	0.9428
220	D48	0.9426
221	TZF	0.9425
222	ABI	0.9423
223	LNR	0.9423
224	IFP	0.9422
225	4JQ	0.9422
226	SE2	0.9420
227	JKE	0.9420
228	KKN	0.9419
229	F9Y	0.9419
230	173	0.9417
231	2FY	0.9416
232	2BG	0.9414
233	GDE	0.9414
234	COI	0.9414
235	QY9	0.9414
236	3HB	0.9413
237	MRZ	0.9411
238	HMH	0.9411
239	BP9	0.9409
240	MZW	0.9409
241	7W1	0.9408
242	LCN	0.9408
243	DMD	0.9406
244	SYV	0.9406
245	7W4	0.9406
246	G3E	0.9405
247	X0V	0.9404
248	2A9	0.9403
249	F4E	0.9402
250	ISN	0.9400
251	5HN	0.9400
252	ZXD	0.9399
253	L99	0.9398
254	8ZE	0.9397
255	8H8	0.9396
256	I3E	0.9396
257	5QX	0.9395
258	SNU	0.9395
259	EHM	0.9395
260	C1M	0.9394
261	2FT	0.9393
262	1DJ	0.9393
263	J5I	0.9391
264	J9Q	0.9389
265	12Q	0.9387
266	86J	0.9387
267	DBH	0.9384
268	6FZ	0.9384
269	3AB	0.9381
270	CN0	0.9381
271	C21	0.9380
272	DHK	0.9380
273	4SX	0.9377
274	1SA	0.9377
275	HHA	0.9373
276	2RH	0.9373
277	3F0	0.9372
278	SEP	0.9372
279	BZ2	0.9372
280	JBE	0.9371
281	SS2	0.9371
282	HHH	0.9369
283	IFL	0.9369
284	8GC	0.9369
285	NOY	0.9367
286	M4S	0.9366
287	0TU	0.9365
288	CWJ	0.9363
289	FE DB1	0.9363
290	DEN	0.9362
291	MR1	0.9362
292	LZ1	0.9359
293	3NT	0.9359
294	4CS	0.9359
295	OVV	0.9358
296	RHU	0.9358
297	3M0	0.9357
298	FB2	0.9356
299	97T	0.9355
300	HX3	0.9355
301	LDU	0.9353
302	NDH	0.9352
303	BZI	0.9349
304	54D	0.9348
305	4FH	0.9347
306	OKG	0.9347
307	49F	0.9346
308	CPZ	0.9344
309	3HA	0.9342
310	94W	0.9342
311	AKG	0.9342
312	IND	0.9341
313	PMB	0.9341
314	BCU	0.9341
315	IF7	0.9341
316	HBX	0.9340
317	DE5	0.9339
318	4YO	0.9339
319	PYF	0.9338
320	E7Z	0.9337
321	EKZ	0.9336
322	JA8	0.9335
323	7WV	0.9335
324	HMU	0.9334
325	RBL	0.9334
326	JBK	0.9333
327	53C	0.9332
328	FPI	0.9332
329	ICB	0.9331
330	VNJ	0.9331
331	SHA	0.9330
332	CTL	0.9329
333	3BZ	0.9327
334	PEA	0.9326
335	BRT	0.9324
336	DGJ	0.9324
337	0R1	0.9322
338	KOJ	0.9322
339	ABN	0.9322
340	LT2	0.9322
341	PKU	0.9321
342	1DV	0.9321
343	3OC	0.9321
344	WCE	0.9321
345	1WD	0.9319
346	SYN	0.9319
347	L14	0.9316
348	ASO	0.9316
349	BSX	0.9315
350	6M9	0.9314
351	ASP	0.9314
352	36Y	0.9312
353	NBE	0.9309
354	NMJ	0.9309
355	HQT	0.9306
356	PY7	0.9306
357	TGX	0.9304
358	7N0	0.9304
359	4NB	0.9303
360	JB8	0.9301
361	QSH	0.9300
362	R8V	0.9299
363	EA1	0.9298
364	JDN	0.9298
365	4JC	0.9298
366	N2I	0.9297
367	J9N	0.9297
368	IDM	0.9294
369	ZZT	0.9294
370	JZ5	0.9292
371	FGZ	0.9291
372	268	0.9291
373	B57	0.9290
374	MPI	0.9290
375	BZF	0.9290
376	MXN	0.9290
377	4Z4	0.9289
378	NOJ	0.9289
379	AHR	0.9289
380	1MR	0.9288
381	265	0.9287
382	2HQ	0.9283
383	PZI	0.9281
384	PCA	0.9281
385	XUL	0.9279
386	282	0.9278
387	R2B	0.9278
388	4JU	0.9277
389	GYE	0.9275
390	2PC	0.9274
391	HYP	0.9274
392	GVH	0.9273
393	TZC	0.9273
394	SKA	0.9272
395	5LA	0.9270
396	BDP	0.9270
397	FBJ	0.9268
398	OXZ	0.9268
399	2MH	0.9268
400	F05	0.9263
401	60P	0.9263
402	IV2	0.9261
403	PYC	0.9260
404	24B	0.9260
405	N2Z	0.9259
406	UY7	0.9259
407	3DO	0.9259
408	XRG	0.9258
409	JZ9	0.9258
410	G2F	0.9257
411	DHS	0.9255
412	FP1	0.9254
413	3SK	0.9254
414	RBJ	0.9253
415	TP5	0.9251
416	KBZ	0.9251
417	9CL	0.9251
418	RAT	0.9250
419	DIN	0.9249
420	URS	0.9248
421	J9T	0.9246
422	URO	0.9246
423	GGL	0.9245
424	BML	0.9244
425	HIS	0.9241
426	0RW	0.9240
427	KJU	0.9238
428	RNO	0.9238
429	RIB	0.9234
430	PEL	0.9233
431	GLN	0.9232
432	6M4	0.9230
433	NYL	0.9230
434	ASN	0.9227
435	IFM	0.9225
436	FOA	0.9225
437	3MB	0.9223
438	OGA	0.9223
439	OVM	0.9222
440	R8S	0.9221
441	8K2	0.9221
442	3DM	0.9220
443	0CT	0.9220
444	MNN	0.9220
445	SPA	0.9220
446	5GU	0.9219
447	HSO	0.9219
448	PXL	0.9219
449	JBN	0.9219
450	SNO	0.9218
451	1DW	0.9214
452	XBT	0.9214
453	GAG	0.9213
454	SMV	0.9212
455	4HP	0.9211
456	9EW	0.9210
457	KDV	0.9210
458	HLR	0.9208
459	2HG	0.9208
460	FA1	0.9208
461	4CH	0.9207
462	RMN	0.9207
463	3QM	0.9206
464	G4D	0.9204
465	4XV	0.9203
466	PCR	0.9202
467	ZBT	0.9202
468	HQE	0.9201
469	52C	0.9201
470	QMP	0.9201
471	SJ5	0.9201
472	NSP	0.9200
473	AHB	0.9200
474	DGN	0.9199
475	PXY	0.9196
476	69O	0.9196
477	ASC	0.9195
478	SMN	0.9195
479	MAE	0.9195
480	MRY	0.9194
481	FPY	0.9191
482	M45	0.9191
483	7MU	0.9188
484	VNL	0.9188
485	DS0	0.9188
486	273	0.9186
487	IXW	0.9186
488	QXW	0.9184
489	M6W	0.9184
490	9FL	0.9181
491	2LP	0.9180
492	5AC	0.9179
493	4VY	0.9179
494	SVN	0.9178
495	A7W	0.9177
496	BEA	0.9177
497	LG4	0.9177
498	3SL	0.9177
499	KTA	0.9177
500	ADA	0.9175
501	GLC	0.9174
502	FPN	0.9172
503	HPS	0.9172
504	HSE	0.9171
505	RNS	0.9170
506	QWN	0.9169
507	4HS	0.9169
508	A5E	0.9167
509	GZL	0.9167
510	FUD	0.9167
511	23A	0.9166
512	15E	0.9166
513	ORN	0.9163
514	NK	0.9162
515	NCT	0.9162
516	PRS	0.9162
517	GAL	0.9161
518	BGC	0.9160
519	GRE	0.9159
520	ESX	0.9158
521	HSM	0.9157
522	MRW	0.9156
523	069	0.9155
524	1DU	0.9155
525	PLQ	0.9154
526	1IT	0.9153
527	DA1	0.9153
528	25R	0.9153
529	DGL	0.9153
530	PEP	0.9150
531	9CA	0.9149
532	15N	0.9148
533	449	0.9148
534	258	0.9148
535	1P7	0.9147
536	PO6	0.9147
537	4JN	0.9146
538	1SQ	0.9144
539	I3A	0.9143
540	FB1	0.9143
541	A29	0.9142
542	A7N	0.9141
543	4JP	0.9140
544	XYP	0.9140
545	9RW	0.9139
546	0JD	0.9138
547	HX2	0.9138
548	ICF	0.9137
549	FBV	0.9136
550	GBD	0.9134
551	5RN	0.9132
552	F31	0.9132
553	1LQ	0.9130
554	E7S	0.9130
555	HCS	0.9130
556	WOT	0.9130
557	JBH	0.9129
558	GTR	0.9129
559	2F6	0.9129
560	5XB	0.9129
561	AEG	0.9129
562	DHI	0.9128
563	5SG	0.9127
564	261	0.9126
565	6M1	0.9123
566	Q88	0.9123
567	ES0	0.9123
568	OHG	0.9123
569	TH0	0.9122
570	J6W	0.9122
571	7HQ	0.9120
572	YPN	0.9120
573	5IQ	0.9119
574	L3Q	0.9119
575	B24	0.9119
576	LXC	0.9118
577	CWM	0.9117
578	DX4	0.9117
579	HH5	0.9117
580	KMT	0.9116
581	ILE	0.9116
582	N5J	0.9115
583	MET	0.9115
584	KTJ	0.9115
585	B85	0.9113
586	3BU	0.9113
587	5B1	0.9111
588	QIC	0.9111
589	OXQ	0.9110
590	J9W	0.9109
591	6GU	0.9109
592	5Q0	0.9107
593	JPZ	0.9107
594	FDB	0.9107
595	HQY	0.9106
596	2D0	0.9106
597	SME	0.9106
598	0R0	0.9105
599	IWT	0.9105
600	GLL	0.9104
601	TLA	0.9103
602	IOL	0.9101
603	GTQ	0.9101
604	ES1	0.9099
605	0P6	0.9099
606	24W	0.9099
607	SIN	0.9099
608	51R	0.9098
609	PEQ	0.9098
610	XLS	0.9098
611	4YS	0.9097
612	36E	0.9096
613	HQJ	0.9095
614	Q24	0.9094
615	8OZ	0.9094
616	1P3	0.9093
617	PBA	0.9092
618	AZF	0.9091
619	ICO	0.9089
620	82I	0.9089
621	HHI	0.9089
622	9X7	0.9088
623	5RG	0.9088
624	FUM	0.9086
625	UNJ	0.9086
626	ESP	0.9085
627	CWS	0.9085
628	0V5	0.9085
629	B53	0.9084
630	12T	0.9084
631	LPK	0.9084
632	JAB	0.9083
633	92K	0.9082
634	4XS	0.9082
635	40E	0.9081
636	0BP	0.9079
637	4XH	0.9078
638	XAN	0.9078
639	URP	0.9078
640	TAR	0.9078
641	AZA	0.9077
642	URF	0.9077
643	0VT	0.9077
644	8CM	0.9075
645	9R5	0.9075
646	PYJ	0.9075
647	M6N	0.9074
648	7VP	0.9074
649	RM1	0.9074
650	MEV	0.9074
651	45L	0.9072
652	HH8	0.9070
653	AZ8	0.9070
654	NLE	0.9070
655	1NP	0.9070
656	G3F	0.9069
657	6F0	0.9066
658	MCT	0.9066
659	GWM	0.9065
660	A09	0.9063
661	2HC	0.9062
662	MEW	0.9061
663	GVG	0.9061
664	BTY	0.9056
665	GUN	0.9056
666	QBK	0.9055
667	UFV	0.9054
668	APY	0.9053
669	WBU	0.9052
670	75K	0.9052
671	SD4	0.9052
672	KUF	0.9050
673	1MC	0.9048
674	M5K	0.9047
675	KMH	0.9047
676	TDR	0.9046
677	M2K	0.9045
678	MWM	0.9044
679	R8A	0.9044
680	OHP	0.9042
681	HY3	0.9041
682	GCU	0.9039
683	TAG	0.9039
684	AZ9	0.9037
685	0CU	0.9037
686	9DG	0.9037
687	AQO	0.9036
688	2AC	0.9035
689	TFB	0.9035
690	SVD	0.9034
691	XYD	0.9033
692	JZ2	0.9033
693	GZ3	0.9031
694	3HG	0.9029
695	L5V	0.9028
696	S7J	0.9028
697	6AP	0.9027
698	9TZ	0.9027
699	13P	0.9027
700	E1T	0.9026
701	OW4	0.9026
702	GIF	0.9026
703	R9S	0.9026
704	10L	0.9025
705	K5W	0.9025
706	YH7	0.9025
707	4CL	0.9025
708	3PG	0.9025
709	141	0.9024
710	SPV	0.9023
711	1XM	0.9023
712	XXG	0.9023
713	4HM	0.9023
714	34A	0.9022
715	TWO	0.9022
716	XBZ	0.9021
717	HPA	0.9019
718	9YL	0.9019
719	5UC	0.9018
720	M1Q	0.9018
721	1LN	0.9018
722	3FH	0.9017
723	URC	0.9016
724	FBW	0.9016
725	R9Y	0.9016
726	4JJ	0.9015
727	TEO	0.9014
728	XCZ	0.9013
729	MZG	0.9012
730	GLA	0.9012
731	PE0	0.9011
732	RSF	0.9011
733	2AL	0.9010
734	271	0.9010
735	2ZV	0.9009
736	5JC	0.9009
737	J1Z	0.9008
738	SOE	0.9008
739	2BX	0.9007
740	1CO	0.9007
741	ICP	0.9006
742	X6X	0.9005
743	CFP	0.9003
744	152	0.9003
745	GCS	0.9003
746	PYD	0.9001
747	5RO	0.9000
748	HQD	0.8999
749	HX4	0.8999
750	A1U	0.8997
751	DAS	0.8997
752	5JQ	0.8996
753	NF3	0.8996
754	BNF	0.8996
755	5MH	0.8995
756	RUY	0.8995
757	ADE	0.8995
758	4HO	0.8994
759	2MP	0.8994
760	XAZ	0.8993
761	GLY GLY	0.8993
762	54G	0.8991
763	GXL	0.8991
764	SWA	0.8991
765	F81	0.8989
766	43M	0.8988
767	AJ2	0.8987
768	PG3	0.8987
769	KT7	0.8986
770	6CS	0.8986
771	TZE	0.8986
772	1GN	0.8985
773	15L	0.8984
774	9DA	0.8984
775	4ZE	0.8983
776	PGH	0.8982
777	AZG	0.8980
778	5M0	0.8979
779	A2F	0.8979
780	BNL	0.8979
781	AW5	0.8978
782	FBF	0.8978
783	GXY	0.8977
784	42J	0.8977
785	428	0.8977
786	1GP	0.8977
787	5MK	0.8975
788	BR9	0.8974
789	B62	0.8974
790	0FN	0.8972
791	O72	0.8970
792	BP1	0.8970
793	3V4	0.8969
794	290	0.8968
795	275	0.8967
796	GAF	0.8967
797	7B4	0.8966
798	ADZ	0.8966
799	TYE	0.8965
800	3XX	0.8964
801	KJY	0.8964
802	IOM	0.8964
803	CRN	0.8964
804	4HC	0.8962
805	PJW	0.8962
806	3Z8	0.8962
807	ALL	0.8962
808	MPV	0.8961
809	SX1	0.8960
810	QWW	0.8960
811	6KT	0.8960
812	HT4	0.8959
813	286	0.8959
814	QOS	0.8959
815	4P0	0.8959
816	ORO	0.8957
817	7HP	0.8956
818	4JO	0.8956
819	LR5	0.8955
820	IGA	0.8955
821	Z5P	0.8955
822	3IT	0.8954
823	44W	0.8954
824	8S0	0.8953
825	MWJ	0.8951
826	GP9	0.8951
827	1Z6	0.8951
828	DHY	0.8951
829	Z13	0.8951
830	H62	0.8951
831	34D	0.8949
832	B55	0.8948
833	3ZB	0.8948
834	GCB	0.8947
835	PRY	0.8947
836	JZ4	0.8947
837	6TZ	0.8946
838	2PG	0.8946
839	4BY	0.8944
840	27Y	0.8944
841	2EC	0.8944
842	42A	0.8943
843	DOR	0.8942
844	PQK	0.8942
845	TM7	0.8941
846	9ZE	0.8941
847	LZM	0.8940
848	PA1	0.8940
849	6MP	0.8939
850	QX2	0.8939
851	2QC	0.8939
852	WOO	0.8939
853	MAJ	0.8937
854	JZ1	0.8937
855	F0J	0.8936
856	LGC	0.8935
857	OXC	0.8934
858	P3K	0.8934
859	9FE	0.8934
860	EQT	0.8933
861	AGK	0.8933
862	IUR	0.8932
863	51F	0.8932
864	R20	0.8931
865	9HX	0.8930
866	FK8	0.8930
867	PRA	0.8930
868	149	0.8930
869	2YU	0.8928
870	F1A	0.8928
871	K97	0.8928
872	39O	0.8927
873	N8Y	0.8926
874	92P	0.8926
875	23W	0.8926
876	7WA	0.8925
877	OTW	0.8925
878	0N7	0.8922
879	1LM	0.8921
880	CH9	0.8921
881	8WT	0.8919
882	CEE	0.8919
883	0TR	0.8917
884	FBT	0.8917
885	4SD	0.8917
886	V55	0.8915
887	MAH	0.8911
888	F4K	0.8910
889	PH3	0.8910
890	4TU	0.8909
891	GOJ	0.8909
892	2AS	0.8908
893	PMF	0.8908
894	IZC	0.8908
895	2H5	0.8907
896	8TX	0.8906
897	PHE	0.8905
898	2FG	0.8905
899	DTU	0.8905
900	XHP	0.8904
901	SOR	0.8903
902	1A7	0.8902
903	6ME	0.8902
904	GIV	0.8900
905	1DQ	0.8899
906	0W8	0.8899
907	D1X	0.8899
908	MNM	0.8899
909	0F9	0.8898
910	4BL	0.8898
911	AES	0.8898
912	IMR	0.8896
913	DFB	0.8895
914	LEU	0.8890
915	FUL	0.8889
916	EVA	0.8889
917	YIO	0.8887
918	BOA	0.8886
919	FCA	0.8886
920	I4B	0.8886
921	AN3	0.8885
922	8XL	0.8885
923	TLD	0.8884
924	HA5	0.8884
925	H4E	0.8883
926	TTY	0.8883
927	CTS	0.8883
928	AJV	0.8881
929	NQ	0.8881
930	PM6	0.8881
931	EUG	0.8881
932	R1X	0.8881
933	TCA	0.8881
934	OVP	0.8880
935	23J	0.8880
936	IP0	0.8880
937	Q02	0.8879
938	FDR	0.8878
939	N3W	0.8878
940	FH2	0.8878
941	NK2	0.8877
942	5JL	0.8874
943	IDH	0.8874
944	DQU	0.8873
945	44V	0.8873
946	4RU	0.8871
947	MAN	0.8871
948	KYD	0.8870
949	C2Y	0.8869
950	BCP	0.8868
951	1KP	0.8867
952	1WG	0.8866
953	FDK	0.8866
954	2AK	0.8865
955	0OC	0.8865
956	H95	0.8865
957	VK3	0.8864
958	G3H	0.8864
959	4M4	0.8863
960	FA3	0.8862
961	JFJ	0.8861
962	Q6T	0.8860
963	Y8I	0.8857
964	NID	0.8855
965	G3P	0.8855
966	PQ0	0.8854
967	GJP	0.8853
968	2CQ	0.8853
969	HCI	0.8851
970	CXP	0.8849
971	1HN	0.8848
972	RXA	0.8848
973	ONR	0.8848
974	EN1	0.8847
975	DFU	0.8847
976	INE	0.8845
977	2LY	0.8843
978	CSS	0.8843
979	X05	0.8843
980	APG	0.8842
981	0MK	0.8842
982	R67	0.8842
983	PPY	0.8841
984	150	0.8838
985	SLS	0.8837
986	HDA	0.8836
987	MVN	0.8834
988	3AE	0.8834
989	ESI	0.8834
990	RIP	0.8830
991	PYQ	0.8829
992	X1S	0.8828
993	ES4	0.8827
994	PRF	0.8825
995	XYS	0.8824
996	37T	0.8823
997	VXX	0.8823
998	DVQ	0.8823
999	PBE	0.8819
1000	FHC	0.8817
1001	HJP	0.8816
1002	4MV	0.8814
1003	XDE	0.8813
1004	3HP	0.8813
1005	Q07	0.8811
1006	BTE	0.8810
1007	MAK	0.8810
1008	PGA	0.8810
1009	PD2	0.8809
1010	DHQ	0.8809
1011	0FO	0.8807
1012	DTL	0.8807
1013	FUC	0.8806
1014	T2C	0.8806
1015	JG8	0.8804
1016	QX4	0.8804
1017	DBX	0.8801
1018	PRZ	0.8799
1019	E4P	0.8798
1020	KIV	0.8798
1021	BVC	0.8795
1022	MUA	0.8794
1023	A13	0.8793
1024	4NZ	0.8791
1025	PDC	0.8789
1026	AKH	0.8785
1027	IAC	0.8785
1028	G6D	0.8785
1029	3C4	0.8784
1030	A7H	0.8780
1031	RUU	0.8777
1032	8IG	0.8772
1033	PC	0.8772
1034	2FQ	0.8770
1035	7NI	0.8770
1036	TT4	0.8770
1037	42C	0.8768
1038	AM4	0.8768
1039	DRL	0.8767
1040	TSS	0.8767
1041	7CZ	0.8766
1042	ABE	0.8766
1043	25W	0.8764
1044	SRO	0.8763
1045	4MU	0.8762
1046	GF4	0.8761
1047	C2A	0.8761
1048	45C	0.8760
1049	32X	0.8760
1050	EVF	0.8760
1051	NVI	0.8760
1052	X0U	0.8759
1053	MT0	0.8756
1054	FOT	0.8756
1055	M4E	0.8755
1056	JND	0.8755
1057	SHG	0.8753
1058	3W8	0.8752
1059	7WR	0.8751
1060	7ME	0.8749
1061	1XN	0.8747
1062	8NB	0.8747
1063	JFD	0.8746
1064	KBB	0.8746
1065	ARB	0.8745
1066	4JE	0.8741
1067	OMD	0.8741
1068	EYK	0.8740
1069	27B	0.8740
1070	PXM	0.8739
1071	0W1	0.8738
1072	680	0.8736
1073	86L	0.8736
1074	XIZ	0.8735
1075	280	0.8735
1076	TOF	0.8733
1077	S24	0.8732
1078	F4Z	0.8732
1079	SWD	0.8728
1080	T9G	0.8727
1081	NAG	0.8727
1082	ZYX	0.8724
1083	YZM	0.8724
1084	APZ	0.8723
1085	CIT	0.8723
1086	BVG	0.8721
1087	PEY	0.8719
1088	MZB	0.8718
1089	DQY	0.8715
1090	S76	0.8715
1091	ZYR	0.8712
1092	35C	0.8712
1093	7MH	0.8711
1094	495	0.8710
1095	PPT	0.8710
1096	MWP	0.8709
1097	T6C	0.8709
1098	TC7	0.8705
1099	2DR	0.8704
1100	RAM	0.8704
1101	DIU	0.8701
1102	4CM	0.8700
1103	P4B	0.8700
1104	47J	0.8696
1105	UNC	0.8695
1106	HZQ	0.8694
1107	M2H	0.8694
1108	JF6	0.8693
1109	25T	0.8691
1110	ECE	0.8688
1111	PH2	0.8687
1112	DEE	0.8685
1113	4LW	0.8685
1114	JIF	0.8685
1115	4V2	0.8684
1116	DNF	0.8683
1117	S0E	0.8682
1118	MZ0	0.8682
1119	IJZ	0.8679
1120	KVP	0.8679
1121	C2U	0.8674
1122	BMA	0.8671
1123	GIO	0.8671
1124	MLA	0.8671
1125	3YP	0.8669
1126	HVQ	0.8668
1127	JBQ	0.8666
1128	EXD	0.8666
1129	36M	0.8664
1130	FLC	0.8663
1131	VAL	0.8663
1132	6VD	0.8662
1133	535	0.8661
1134	3WA	0.8659
1135	8W9	0.8658
1136	1L5	0.8658
1137	4I8	0.8657
1138	FBU	0.8655
1139	EGR	0.8653
1140	1DH	0.8651
1141	FLA	0.8649
1142	7VS	0.8647
1143	P2D	0.8647
1144	3RK	0.8646
1145	9MG	0.8645
1146	SC2	0.8645
1147	3QV	0.8643
1148	1WC	0.8642
1149	PYG	0.8636
1150	M1E	0.8635
1151	M0W	0.8632
1152	4ZC	0.8631
1153	MLI	0.8630
1154	2CL	0.8629
1155	CFF	0.8628
1156	BZJ	0.8627
1157	KTW	0.8624
1158	F12	0.8623
1159	AJY	0.8622
1160	OQC	0.8622
1161	A65	0.8617
1162	2MN	0.8617
1163	4ME	0.8614
1164	P9E	0.8612
1165	GXE	0.8611
1166	MZT	0.8610
1167	F5B	0.8605
1168	CRS	0.8604
1169	4XX	0.8604
1170	BPY	0.8603
1171	ABU	0.8599
1172	TMZ	0.8597
1173	TEP	0.8596
1174	TBP	0.8594
1175	N4E	0.8594
1176	9TY	0.8588
1177	CXL	0.8588
1178	XXP	0.8584
1179	GVY	0.8579
1180	GNM	0.8575
1181	7MX	0.8573
1182	MBG	0.8567
1183	HAI	0.8565
1184	DMG	0.8562
1185	5VL	0.8561
1186	CYH	0.8556
1187	284	0.8551
1188	M0Q	0.8547
1189	QBM	0.8544
1190	TBS	0.8532
1191	1XA	0.8513

Ligand no: 2; Ligand: XHP; Similar ligands found: 1145

No:	Ligand	Similarity coefficient
1	44W	1.0000
2	DQU	1.0000
3	OTW	1.0000
4	0FO	1.0000
5	B62	1.0000
6	MVN	0.9981
7	QX4	0.9981
8	6ME	0.9947
9	44V	0.9930
10	PH2	0.9910
11	QBK	0.9850
12	PE0	0.9812
13	AQO	0.9793
14	AJ2	0.9785
15	XAZ	0.9784
16	0P6	0.9776
17	MEW	0.9767
18	J9W	0.9765
19	2FQ	0.9765
20	KUF	0.9761
21	M6N	0.9760
22	Q24	0.9758
23	PRF	0.9758
24	URC	0.9757
25	MUA	0.9754
26	AZ8	0.9749
27	HHR	0.9746
28	4JQ	0.9745
29	M5K	0.9743
30	8CM	0.9742
31	CWS	0.9742
32	4HC	0.9733
33	MQN	0.9726
34	M1Q	0.9725
35	0TU	0.9710
36	CLZ	0.9707
37	2AK	0.9705
38	4YO	0.9678
39	BTY	0.9671
40	FDR	0.9649
41	B55	0.9647
42	DRL	0.9643
43	9R5	0.9638
44	INE	0.9635
45	0N7	0.9625
46	KT7	0.9624
47	8TX	0.9622
48	75K	0.9617
49	86J	0.9612
50	6VD	0.9604
51	AJV	0.9602
52	BEA	0.9595
53	NID	0.9589
54	2HQ	0.9588
55	NQ	0.9588
56	5JQ	0.9581
57	B60	0.9580
58	3Z8	0.9579
59	MAQ	0.9577
60	MO8	0.9572
61	N8Y	0.9572
62	APZ	0.9571
63	RXA	0.9569
64	VK3	0.9569
65	HQD	0.9568
66	20J	0.9568
67	AZ9	0.9567
68	PQ0	0.9560
69	FDB	0.9549
70	COU	0.9537
71	PYQ	0.9536
72	B5D	0.9535
73	5JL	0.9533
74	OCH	0.9530
75	Q71	0.9523
76	5QY	0.9514
77	FBB	0.9512
78	G3E	0.9510
79	BGC	0.9510
80	2K8	0.9504
81	D07	0.9503
82	K2T	0.9503
83	AZA	0.9500
84	8IG	0.9498
85	E7Z	0.9496
86	9DG	0.9496
87	H42	0.9495
88	ES5	0.9493
89	TGX	0.9490
90	4ME	0.9490
91	4FS	0.9486
92	2AQ	0.9485
93	SE2	0.9485
94	2D0	0.9482
95	4MU	0.9481
96	ROI	0.9479
97	03V	0.9478
98	4TU	0.9477
99	JB5	0.9475
100	GUN	0.9473
101	Q77	0.9472
102	XAN	0.9464
103	141	0.9456
104	TWO	0.9450
105	TTL	0.9450
106	XQ0	0.9448
107	D48	0.9447
108	ZYR	0.9446
109	A2F	0.9444
110	UFO	0.9441
111	92K	0.9440
112	12Q	0.9440
113	IGA	0.9439
114	9MG	0.9438
115	J5I	0.9434
116	ISN	0.9434
117	15E	0.9432
118	4Z4	0.9431
119	DIN	0.9431
120	GXY	0.9430
121	1SQ	0.9430
122	3PF	0.9427
123	GCS	0.9427
124	3HA	0.9424
125	MRW	0.9423
126	4M0	0.9423
127	24W	0.9422
128	2KA	0.9421
129	8WO	0.9421
130	M1H	0.9421
131	DX3	0.9420
132	KJH	0.9415
133	BDP	0.9415
134	2EC	0.9414
135	CFP	0.9411
136	FA0	0.9410
137	EA1	0.9408
138	B53	0.9408
139	AJY	0.9405
140	DOB	0.9405
141	G3F	0.9405
142	7W1	0.9404
143	4YS	0.9402
144	HHS	0.9402
145	9KT	0.9402
146	A7W	0.9401
147	ADZ	0.9401
148	ES1	0.9400
149	TOF	0.9399
150	1NP	0.9397
151	BPU	0.9397
152	5Q0	0.9397
153	KKN	0.9396
154	DPZ	0.9395
155	YH7	0.9395
156	5QX	0.9393
157	7VS	0.9391
158	DX4	0.9391
159	H5B	0.9389
160	JG8	0.9388
161	JBH	0.9387
162	ZZZ	0.9387
163	1LM	0.9386
164	3F0	0.9385
165	3QV	0.9383
166	UNC	0.9383
167	BHA	0.9382
168	DBH	0.9381
169	5IQ	0.9380
170	M0W	0.9379
171	5RO	0.9378
172	5SG	0.9377
173	5WV	0.9376
174	BOA	0.9376
175	JPZ	0.9375
176	M0Q	0.9375
177	PEY	0.9374
178	HQT	0.9374
179	KJY	0.9374
180	JBK	0.9373
181	1LQ	0.9370
182	5NE	0.9368
183	7W4	0.9367
184	5CU	0.9367
185	7B4	0.9367
186	ES7	0.9366
187	FE DB1	0.9365
188	R8V	0.9364
189	RM1	0.9362
190	HQY	0.9361
191	2ZQ	0.9360
192	TT4	0.9360
193	GLC	0.9360
194	3M0	0.9358
195	GJP	0.9357
196	LDR	0.9357
197	O72	0.9357
198	CTL	0.9353
199	8S0	0.9352
200	7B3	0.9351
201	N5J	0.9351
202	7ZE	0.9350
203	LI6	0.9350
204	32X	0.9350
205	I3A	0.9350
206	0W8	0.9350
207	6AP	0.9349
208	NDM	0.9348
209	J9T	0.9347
210	N2I	0.9346
211	CH9	0.9344
212	IV2	0.9341
213	ET2	0.9341
214	1XM	0.9341
215	HJP	0.9340
216	36R	0.9339
217	8NX	0.9339
218	FOT	0.9339
219	8WT	0.9338
220	6GU	0.9338
221	M2K	0.9338
222	1HN	0.9337
223	290	0.9336
224	PXL	0.9336
225	0FK	0.9335
226	CWM	0.9335
227	VNL	0.9335
228	344	0.9333
229	94W	0.9331
230	KIB	0.9331
231	8MO	0.9329
232	7MU	0.9327
233	5NU	0.9325
234	1P7	0.9325
235	AZG	0.9324
236	3DM	0.9324
237	4RU	0.9323
238	7ME	0.9323
239	42C	0.9322
240	CLW	0.9322
241	B57	0.9321
242	6NT	0.9320
243	5WY	0.9319
244	Z5P	0.9318
245	2LY	0.9317
246	5VM	0.9317
247	7NI	0.9317
248	HLZ	0.9313
249	9FL	0.9312
250	39O	0.9311
251	KIA	0.9311
252	BCP	0.9311
253	9AP	0.9310
254	209	0.9310
255	VGD	0.9310
256	0XT	0.9307
257	ES0	0.9306
258	Q6T	0.9304
259	8HC	0.9303
260	4XH	0.9301
261	3IT	0.9300
262	37T	0.9297
263	ZVO	0.9297
264	IJZ	0.9296
265	ES2	0.9296
266	ICO	0.9296
267	A29	0.9294
268	12T	0.9294
269	KJU	0.9294
270	7HQ	0.9292
271	5OB	0.9291
272	X8D	0.9290
273	3ID	0.9289
274	CFF	0.9288
275	4JT	0.9286
276	680	0.9286
277	5RN	0.9286
278	TTY	0.9285
279	8ZE	0.9284
280	2A9	0.9282
281	VXX	0.9282
282	1P8	0.9281
283	HH8	0.9281
284	0CU	0.9277
285	HH5	0.9275
286	QPR	0.9274
287	0HN	0.9273
288	HMH	0.9273
289	DHQ	0.9272
290	HHA	0.9270
291	2FY	0.9269
292	Q88	0.9269
293	H33	0.9268
294	KDV	0.9268
295	UAN	0.9266
296	AA	0.9265
297	MS9	0.9263
298	12B	0.9263
299	2AL	0.9263
300	JBQ	0.9262
301	NDH	0.9261
302	KYA	0.9260
303	0HO	0.9259
304	2HU	0.9256
305	LT2	0.9254
306	3NY	0.9253
307	LZM	0.9253
308	0FN	0.9253
309	2ZM	0.9251
310	N0Z	0.9250
311	SKA	0.9250
312	3MB	0.9249
313	V55	0.9247
314	5NI	0.9244
315	CWJ	0.9244
316	Q7A	0.9244
317	4M4	0.9244
318	92P	0.9243
319	6NI	0.9242
320	OVM	0.9242
321	C2Y	0.9242
322	BZ3	0.9242
323	8W9	0.9242
324	0JD	0.9242
325	9CA	0.9241
326	DNA	0.9240
327	TIY	0.9238
328	HKD	0.9238
329	B56	0.9230
330	ORO	0.9229
331	8H8	0.9229
332	4AA	0.9228
333	ANF	0.9228
334	ABI	0.9228
335	069	0.9227
336	1IT	0.9226
337	15N	0.9226
338	3WA	0.9222
339	NOJ	0.9222
340	3A9	0.9218
341	DRG	0.9218
342	M1E	0.9217
343	1F1	0.9216
344	1KP	0.9216
345	BZJ	0.9216
346	BZX	0.9216
347	DMD	0.9215
348	NAG	0.9215
349	GAL	0.9215
350	GDE	0.9214
351	JAE	0.9213
352	PX7	0.9212
353	1XN	0.9211
354	PXM	0.9211
355	F0J	0.9210
356	M1A	0.9210
357	AKH	0.9209
358	6RQ	0.9209
359	4NC	0.9209
360	4KL	0.9209
361	GJS	0.9208
362	15L	0.9205
363	7VJ	0.9205
364	GZL	0.9203
365	ODO	0.9202
366	GM7	0.9201
367	I6G	0.9201
368	42A	0.9198
369	67N	0.9194
370	TEP	0.9194
371	PRZ	0.9194
372	SYV	0.9193
373	OXC	0.9192
374	DBJ	0.9190
375	EN1	0.9188
376	PDC	0.9188
377	E7S	0.9185
378	5XC	0.9182
379	DHB	0.9182
380	8XL	0.9181
381	SXS	0.9180
382	27B	0.9180
383	XX2	0.9178
384	JU2	0.9177
385	C2U	0.9176
386	14O	0.9175
387	MT0	0.9175
388	INO	0.9175
389	6BL	0.9174
390	E1T	0.9173
391	FYU	0.9172
392	5B1	0.9172
393	5H1	0.9171
394	4A3	0.9171
395	5NS	0.9170
396	TH7	0.9169
397	BCU	0.9167
398	EQT	0.9167
399	173	0.9165
400	GZ8	0.9164
401	52C	0.9164
402	G5V	0.9163
403	495	0.9163
404	5MI	0.9163
405	3HM	0.9163
406	JDN	0.9162
407	5GU	0.9162
408	5WX	0.9162
409	GVG	0.9161
410	QAS	0.9160
411	OA3	0.9158
412	HIS	0.9158
413	MYJ	0.9156
414	NNO	0.9156
415	2F6	0.9156
416	BK9	0.9155
417	6M9	0.9154
418	MR1	0.9154
419	FHB	0.9153
420	THA	0.9151
421	CTS	0.9150
422	C9E	0.9148
423	F60	0.9147
424	93K	0.9147
425	JUG	0.9146
426	2HO	0.9146
427	5MB	0.9146
428	4VS	0.9145
429	3NT	0.9143
430	QAT	0.9141
431	NSP	0.9141
432	2K4	0.9137
433	J6W	0.9137
434	G1O	0.9136
435	ES9	0.9132
436	GAB	0.9131
437	PFB	0.9131
438	6AI	0.9129
439	5RG	0.9129
440	TYL	0.9128
441	FK1	0.9127
442	GCU	0.9126
443	FLV	0.9125
444	4CS	0.9124
445	11S	0.9123
446	SHG	0.9121
447	DHK	0.9119
448	HZQ	0.9116
449	BPY	0.9116
450	5VL	0.9116
451	F9Y	0.9111
452	QUZ	0.9111
453	SVN	0.9111
454	9ZE	0.9111
455	ABV	0.9110
456	H4N	0.9110
457	JTH	0.9110
458	68A	0.9108
459	PJW	0.9108
460	3HB	0.9104
461	XIY	0.9104
462	GTQ	0.9102
463	AN3	0.9101
464	G6D	0.9101
465	MWP	0.9100
466	HMU	0.9100
467	LGC	0.9099
468	34D	0.9098
469	P9P	0.9098
470	30G	0.9098
471	VOH	0.9096
472	3J8	0.9095
473	6CS	0.9095
474	LSA	0.9093
475	JND	0.9091
476	UEG	0.9091
477	NDG	0.9091
478	SKM	0.9091
479	1M2	0.9090
480	L22	0.9089
481	NPY	0.9088
482	SRO	0.9084
483	F05	0.9084
484	0RW	0.9083
485	SOE	0.9083
486	HA7	0.9082
487	8XQ	0.9081
488	SLS	0.9080
489	2BG	0.9079
490	TSS	0.9078
491	6KT	0.9076
492	E5X	0.9076
493	DNF	0.9075
494	SYA	0.9074
495	JXN	0.9074
496	DOR	0.9074
497	8GC	0.9074
498	ESI	0.9073
499	CHB	0.9072
500	CK2	0.9071
501	DIU	0.9071
502	F12	0.9070
503	82I	0.9069
504	D1X	0.9066
505	EV0	0.9065
506	AW5	0.9064
507	226	0.9064
508	K3Q	0.9064
509	39A	0.9062
510	OVV	0.9062
511	9TW	0.9061
512	EJZ	0.9061
513	ZZT	0.9060
514	GNM	0.9059
515	GHM	0.9058
516	W81	0.9054
517	KTJ	0.9054
518	428	0.9053
519	IPB	0.9050
520	OW4	0.9050
521	NTZ	0.9050
522	LKA	0.9050
523	3FH	0.9049
524	3AB	0.9047
525	9EW	0.9047
526	SWA	0.9047
527	SOR	0.9045
528	3MG	0.9045
529	DEE	0.9044
530	YQA	0.9044
531	GRE	0.9044
532	5HN	0.9043
533	JYB	0.9043
534	HQJ	0.9042
535	J9Q	0.9042
536	24B	0.9042
537	HNQ	0.9041
538	7WR	0.9041
539	4V2	0.9041
540	WCE	0.9041
541	GTR	0.9041
542	54G	0.9040
543	F31	0.9040
544	XXR	0.9039
545	AX7	0.9038
546	5M0	0.9037
547	0F9	0.9037
548	6M4	0.9036
549	25W	0.9033
550	PHH	0.9032
551	JAW	0.9032
552	BTE	0.9032
553	2H5	0.9032
554	QSB	0.9030
555	HLD	0.9030
556	LZ2	0.9028
557	L5V	0.9028
558	6M1	0.9026
559	HPA	0.9025
560	HA5	0.9025
561	537	0.9024
562	1WG	0.9023
563	6QF	0.9022
564	EVA	0.9020
565	SWD	0.9018
566	HLR	0.9016
567	NGA	0.9016
568	R9Y	0.9016
569	18N	0.9014
570	FBG	0.9013
571	BRT	0.9012
572	ZZ8	0.9010
573	270	0.9010
574	G12	0.9009
575	XQG	0.9005
576	97T	0.9005
577	4BY	0.9004
578	K32	0.9002
579	V1T	0.9000
580	F2W	0.8999
581	1QP	0.8998
582	5TY	0.8998
583	8NY	0.8997
584	4BZ	0.8996
585	XYP	0.8996
586	HBO	0.8995
587	K97	0.8995
588	FGZ	0.8994
589	X05	0.8994
590	SAL	0.8994
591	NCT	0.8993
592	4BL	0.8992
593	ADE	0.8991
594	3BZ	0.8990
595	QSH	0.8988
596	AX3	0.8987
597	2MI	0.8985
598	X0W	0.8985
599	DNC	0.8985
600	EUG	0.8984
601	ASO	0.8984
602	PD2	0.8983
603	CKA	0.8983
604	53C	0.8983
605	PNZ	0.8982
606	ISZ	0.8981
607	7MX	0.8981
608	28N	0.8980
609	6MP	0.8979
610	ANN	0.8977
611	2CQ	0.8976
612	K22	0.8976
613	5WU	0.8975
614	10L	0.8975
615	BE2	0.8972
616	WOO	0.8970
617	JBE	0.8968
618	EOL	0.8967
619	UNJ	0.8967
620	BP1	0.8966
621	5MK	0.8965
622	BZ2	0.8965
623	8G0	0.8963
624	7WA	0.8963
625	AP4	0.8962
626	3DO	0.8961
627	4AN	0.8959
628	BHO	0.8959
629	JF2	0.8958
630	8OZ	0.8957
631	CFI	0.8957
632	HDH	0.8955
633	ALL	0.8955
634	M4E	0.8954
635	4SV	0.8953
636	SX1	0.8952
637	XM0	0.8952
638	QWN	0.8951
639	X09	0.8950
640	3ZB	0.8949
641	LDP	0.8949
642	0W1	0.8948
643	IHB	0.8948
644	KW8	0.8948
645	23A	0.8947
646	3U4	0.8947
647	N7I	0.8947
648	6F0	0.8946
649	M5N	0.8946
650	F1A	0.8945
651	APS	0.8945
652	9HX	0.8943
653	1A7	0.8942
654	9DA	0.8941
655	0GZ	0.8939
656	ONR	0.8937
657	E35	0.8936
658	ESP	0.8936
659	AHR	0.8936
660	SHA	0.8935
661	A13	0.8935
662	JXW	0.8935
663	2CK	0.8934
664	3GQ	0.8934
665	1DW	0.8933
666	QQQ	0.8933
667	K17	0.8933
668	091	0.8932
669	NMJ	0.8932
670	NIZ	0.8932
671	PHT	0.8931
672	NPO	0.8930
673	DBX	0.8929
674	JR2	0.8927
675	RMN	0.8926
676	APG	0.8926
677	MHK	0.8925
678	9TZ	0.8925
679	GYE	0.8925
680	OQC	0.8922
681	2ZV	0.8921
682	4XV	0.8919
683	ISE	0.8918
684	7HP	0.8917
685	4V6	0.8916
686	GIO	0.8916
687	4P5	0.8915
688	PHB	0.8914
689	293	0.8913
690	X0U	0.8912
691	GCB	0.8911
692	IWT	0.8910
693	ICB	0.8909
694	ES6	0.8907
695	6E8	0.8907
696	DPT	0.8906
697	3RK	0.8906
698	QX2	0.8904
699	EGR	0.8904
700	PAB	0.8904
701	GLA	0.8904
702	GF4	0.8904
703	TBS	0.8903
704	MVL	0.8903
705	G2F	0.8903
706	MOK	0.8902
707	I3E	0.8902
708	K82	0.8902
709	WSD	0.8901
710	NSG	0.8899
711	NTM	0.8896
712	EXD	0.8895
713	HX3	0.8894
714	4I8	0.8893
715	150	0.8892
716	PHE	0.8892
717	ASC	0.8890
718	261	0.8890
719	E1K	0.8889
720	ES4	0.8889
721	A2G	0.8889
722	4XR	0.8889
723	549	0.8888
724	ANC	0.8887
725	OW7	0.8885
726	MSR	0.8885
727	JKE	0.8884
728	GV9	0.8883
729	329	0.8882
730	7WV	0.8881
731	BMA	0.8881
732	NVU	0.8880
733	YSO	0.8879
734	ARP	0.8878
735	9UL	0.8878
736	54X	0.8878
737	QWW	0.8877
738	S76	0.8877
739	MAN	0.8876
740	149	0.8876
741	EXO	0.8875
742	GDL	0.8874
743	5VJ	0.8874
744	PM6	0.8874
745	IFP	0.8873
746	4HM	0.8873
747	JF1	0.8871
748	J9N	0.8869
749	ESX	0.8869
750	IFL	0.8869
751	AY4	0.8868
752	64C	0.8866
753	2GS	0.8866
754	K37	0.8865
755	RPQ	0.8865
756	XXP	0.8864
757	F6P	0.8864
758	KJ5	0.8864
759	PHU	0.8863
760	QXW	0.8860
761	PFL	0.8860
762	IAC	0.8860
763	RAM	0.8860
764	F4Z	0.8859
765	A7H	0.8858
766	OVP	0.8858
767	6FZ	0.8856
768	HBD	0.8856
769	CN0	0.8854
770	F4E	0.8853
771	P72	0.8853
772	GOG	0.8852
773	BSP	0.8852
774	N3W	0.8852
775	F5B	0.8851
776	INS	0.8851
777	EYK	0.8850
778	3R4	0.8850
779	X0V	0.8850
780	9FE	0.8848
781	SG2	0.8848
782	6TZ	0.8847
783	F81	0.8845
784	GTZ	0.8843
785	ADK	0.8842
786	HHT	0.8841
787	6FB	0.8840
788	EKZ	0.8840
789	1X7	0.8840
790	TC7	0.8838
791	P3K	0.8838
792	DGJ	0.8838
793	FBU	0.8837
794	L99	0.8837
795	KOJ	0.8837
796	FUL	0.8836
797	PBZ	0.8833
798	4SX	0.8833
799	PBA	0.8832
800	NLA	0.8832
801	4WL	0.8831
802	4FA	0.8831
803	X11	0.8830
804	GIV	0.8830
805	PQK	0.8830
806	1WD	0.8829
807	1Y6	0.8829
808	K6X	0.8827
809	SNO	0.8827
810	7FF	0.8826
811	4ZA	0.8824
812	4XS	0.8823
813	NGO	0.8823
814	GOX	0.8822
815	45C	0.8821
816	J01	0.8821
817	67X	0.8820
818	OTD	0.8820
819	BA5	0.8819
820	GCV	0.8818
821	TXW	0.8817
822	AEZ	0.8817
823	TZF	0.8816
824	JXZ	0.8816
825	2HC	0.8816
826	SNU	0.8815
827	PYD	0.8813
828	Z82	0.8812
829	TH0	0.8812
830	4MA	0.8811
831	06B	0.8810
832	363	0.8810
833	1U6	0.8810
834	GAF	0.8809
835	P92	0.8806
836	M1Z	0.8805
837	3Z7	0.8805
838	1GN	0.8804
839	2FG	0.8804
840	61M	0.8804
841	LNR	0.8803
842	51R	0.8802
843	GCW	0.8801
844	A5E	0.8801
845	S60	0.8801
846	H7Y	0.8800
847	HNT	0.8800
848	NOY	0.8797
849	GT0	0.8797
850	DIE	0.8794
851	XDE	0.8794
852	BPN	0.8794
853	NGT	0.8793
854	FP1	0.8793
855	174	0.8793
856	KMY	0.8793
857	BHQ	0.8791
858	BGU	0.8791
859	MT8	0.8791
860	FBT	0.8788
861	XM5	0.8788
862	YRL	0.8787
863	BNT	0.8782
864	826	0.8781
865	NGW	0.8780
866	UFV	0.8779
867	SJ5	0.8778
868	4NB	0.8778
869	TIU	0.8778
870	948	0.8777
871	HTP	0.8777
872	FBM	0.8775
873	TPA	0.8775
874	KGK	0.8773
875	5LA	0.8772
876	JFD	0.8772
877	43M	0.8772
878	4JO	0.8770
879	H6B	0.8770
880	ZZ3	0.8768
881	FHC	0.8766
882	B2J	0.8766
883	JA8	0.8765
884	M6Z	0.8765
885	1WC	0.8763
886	L7T	0.8762
887	ADA	0.8762
888	39U	0.8762
889	TDR	0.8761
890	IBM	0.8761
891	49O	0.8760
892	JP2	0.8760
893	GO8	0.8760
894	URF	0.8760
895	0BP	0.8759
896	8GK	0.8759
897	MAJ	0.8758
898	1MC	0.8758
899	IBF	0.8757
900	3MA	0.8757
901	AC6	0.8757
902	GIM	0.8756
903	HFB	0.8756
904	1L5	0.8756
905	5UC	0.8755
906	KBB	0.8753
907	582	0.8753
908	MBG	0.8753
909	CPZ	0.8752
910	PIY	0.8752
911	EMZ	0.8750
912	LZB	0.8750
913	AIN	0.8750
914	4NM	0.8749
915	4FH	0.8747
916	MCT	0.8746
917	JKZ	0.8744
918	LYL	0.8744
919	DQN	0.8743
920	MNS	0.8742
921	K44	0.8742
922	BBF	0.8742
923	5MH	0.8742
924	7I2	0.8741
925	A65	0.8741
926	BCF	0.8740
927	R20	0.8740
928	FSW	0.8740
929	KBG	0.8739
930	3R6	0.8739
931	FBW	0.8739
932	KLW	0.8739
933	GTC	0.8737
934	XYD	0.8736
935	23J	0.8734
936	MD6	0.8733
937	IUR	0.8733
938	LQ2	0.8732
939	LT8	0.8731
940	JB8	0.8730
941	N2Z	0.8730
942	3OC	0.8730
943	H62	0.8730
944	TVP	0.8728
945	ICP	0.8728
946	HX4	0.8728
947	DK1	0.8727
948	MT5	0.8727
949	F69	0.8726
950	BBK	0.8725
951	R6T	0.8725
952	717	0.8725
953	GXL	0.8725
954	GO2	0.8723
955	XCZ	0.8722
956	Q02	0.8721
957	4HO	0.8721
958	OTR	0.8721
959	1AL	0.8720
960	1Z6	0.8720
961	RNO	0.8718
962	JZ3	0.8718
963	4ZC	0.8715
964	XBZ	0.8713
965	QIC	0.8713
966	K25	0.8712
967	8NB	0.8712
968	2O6	0.8712
969	X6X	0.8711
970	DEN	0.8710
971	GSY	0.8709
972	6OT	0.8708
973	MNM	0.8708
974	FUD	0.8707
975	DFB	0.8707
976	9PY	0.8706
977	IND	0.8706
978	MPV	0.8705
979	JZ2	0.8705
980	259	0.8705
981	MZB	0.8705
982	OMD	0.8704
983	IUP	0.8704
984	DHR	0.8703
985	BZI	0.8703
986	2JK	0.8702
987	2AC	0.8701
988	S0E	0.8700
989	WBU	0.8700
990	WS7	0.8699
991	SKF	0.8699
992	60Q	0.8697
993	SW7	0.8696
994	MAG	0.8696
995	SN4	0.8696
996	KTW	0.8695
997	1P3	0.8695
998	ZXD	0.8692
999	4JJ	0.8691
1000	2MP	0.8691
1001	LAO	0.8690
1002	GTL	0.8688
1003	4NO	0.8688
1004	36E	0.8688
1005	FB1	0.8687
1006	GNV	0.8686
1007	34A	0.8685
1008	BZF	0.8685
1009	RZH	0.8681
1010	PIM	0.8680
1011	L46	0.8678
1012	PA1	0.8678
1013	VNJ	0.8678
1014	GLT	0.8677
1015	5CL	0.8677
1016	6X9	0.8675
1017	MZG	0.8675
1018	3Y7	0.8674
1019	T6C	0.8673
1020	1XA	0.8672
1021	K5W	0.8671
1022	BIK	0.8670
1023	R8S	0.8670
1024	F9P	0.8669
1025	4CL	0.8669
1026	4ZE	0.8669
1027	ZWZ	0.8667
1028	0R0	0.8666
1029	O2A	0.8665
1030	0LH	0.8665
1031	BEZ	0.8665
1032	DA4	0.8664
1033	E3D	0.8664
1034	LZ1	0.8662
1035	M78	0.8661
1036	9LI	0.8661
1037	7VP	0.8660
1038	AC0	0.8660
1039	MWM	0.8660
1040	HBA	0.8656
1041	DHC	0.8655
1042	JIF	0.8653
1043	AMG	0.8653
1044	M4S	0.8651
1045	MWJ	0.8650
1046	6PC	0.8649
1047	BR9	0.8648
1048	GLY PRO	0.8648
1049	YIO	0.8648
1050	AMH	0.8646
1051	QUS	0.8645
1052	A1U	0.8645
1053	GVH	0.8645
1054	0CT	0.8645
1055	TAG	0.8644
1056	AEF	0.8642
1057	MPI	0.8641
1058	BNL	0.8639
1059	MS0	0.8639
1060	TSU	0.8637
1061	4VY	0.8635
1062	PCI	0.8633
1063	0FR	0.8633
1064	27Y	0.8633
1065	IF7	0.8632
1066	FAN	0.8632
1067	0R1	0.8632
1068	E7R	0.8632
1069	2LP	0.8631
1070	P9E	0.8629
1071	XQK	0.8627
1072	7MK	0.8627
1073	HRM	0.8626
1074	NBZ	0.8626
1075	BEN	0.8623
1076	JBZ	0.8622
1077	DMJ	0.8620
1078	505	0.8620
1079	NCA	0.8618
1080	QOS	0.8617
1081	SAN	0.8617
1082	RUY	0.8616
1083	64E	0.8615
1084	5JC	0.8614
1085	3TJ	0.8613
1086	FCR	0.8612
1087	3BU	0.8612
1088	UQ	0.8612
1089	NK	0.8611
1090	VM1	0.8610
1091	ZEC	0.8610
1092	AAS	0.8610
1093	878	0.8609
1094	2YU	0.8607
1095	QIV	0.8606
1096	H8N	0.8604
1097	TLD	0.8604
1098	EUE	0.8603
1099	FDK	0.8602
1100	NIO	0.8602
1101	G4D	0.8600
1102	FBV	0.8598
1103	IDM	0.8598
1104	BAM	0.8597
1105	2MN	0.8596
1106	UNU	0.8596
1107	RHU	0.8593
1108	F3B	0.8592
1109	54Z	0.8590
1110	FH2	0.8590
1111	PBC	0.8588
1112	TM7	0.8586
1113	OGA	0.8585
1114	CCV	0.8582
1115	N1E	0.8579
1116	PZA	0.8579
1117	K34	0.8578
1118	FQI	0.8576
1119	HBI	0.8572
1120	IOS	0.8571
1121	95Z	0.8570
1122	MXX	0.8569
1123	QBM	0.8566
1124	H4B	0.8566
1125	HT4	0.8565
1126	RAT	0.8560
1127	795	0.8556
1128	3AE	0.8556
1129	9RW	0.8554
1130	C8O	0.8554
1131	KIF	0.8553
1132	RH1	0.8552
1133	PAC	0.8547
1134	II6	0.8547
1135	4J8	0.8545
1136	D3G	0.8545
1137	K8X	0.8544
1138	3AL	0.8540
1139	4A5	0.8540
1140	XXG	0.8539
1141	4P0	0.8538
1142	SMN	0.8537
1143	H05	0.8531
1144	2GQ	0.8524
1145	IQ5	0.8511

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

Pocket No.: 1; Query (leader) PDB : 3TYZ; Ligand: XHP; Similar sites found with APoc: 2

This union binding pocket(no: 1) in the query (biounit: 3tyz.bio1) has 25 residues
No:	Leader PDB	Ligand	Sequence Similarity
1	6JWS	PT1	48.5714
2	6JWS	PT1	48.5714

Pocket No.: 2; Query (leader) PDB : 3TYZ; Ligand: PAB; Similar sites found with APoc: 2

This union binding pocket(no: 2) in the query (biounit: 3tyz.bio1) has 25 residues
No:	Leader PDB	Ligand	Sequence Similarity
1	6JWS	PT1	48.5714
2	6JWS	PT1	48.5714

Pocket No.: 3; Query (leader) PDB : 3TYZ; Ligand: XHP; Similar sites found with APoc: 2

This union binding pocket(no: 3) in the query (biounit: 3tyz.bio1) has 25 residues
No:	Leader PDB	Ligand	Sequence Similarity
1	6JWS	PT1	48.5714
2	6JWS	PT1	48.5714

Pocket No.: 4; Query (leader) PDB : 3TYZ; Ligand: PAB; Similar sites found with APoc: 2

This union binding pocket(no: 4) in the query (biounit: 3tyz.bio1) has 27 residues
No:	Leader PDB	Ligand	Sequence Similarity
1	6JWS	PT1	48.5714
2	6JWS	PT1	48.5714

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