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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
4XJ7	1.6 Å	EC: 3.1.3.5	CRYSTAL STRUCTURE OF E112A MUTANT OF STATIONARY PHASE SURVIV (SURE) FROM SALMONELLA TYPHIMURIUM SOAKED WITH AMP	SALMONELLA TYPHIMURIUM (STRAIN LT2 / SATCC 700720)	STATIONARY PHASE SURVIVAL PROTEIN DOMAIN SWAPPING ROSSMANNLIKE PHOSPHATASE HYDROLASE
Ref.:	INSIGHTS INTO STABILIZING INTERACTIONS IN THE DISTO DOMAIN-SWAPPED DIMER OF SALMONELLA TYPHIMURIUM SURV PROTEIN. ACTA CRYSTALLOGR.,SECT.D V. 71 1812 2015

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	Molecular Weight (Da)	Formula	SMILES
PO4	A:302; C:302; B:302; D:302;	Invalid; Invalid; Invalid; Invalid;	none; none; none; none;	submit data	94.971	O4 P	[O-]P...
ADN	A:303; D:303;	Valid; Valid;	none; none;	submit data	267.241	C10 H13 N5 O4	c1nc(...
MG	C:301; B:301; A:301; D:301;	Part of Protein; Part of Protein; Part of Protein; Part of Protein;	none; none; none; none;	submit data	24.305	Mg	[Mg+2...
GOL	C:303; B:305; B:304;	Invalid; Invalid; Invalid;	none; none; none;	submit data	92.094	C3 H8 O3	C(C(C...
ADE	B:303;	Valid;	none;	submit data	135.127	C5 H5 N5	c1[nH...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
4XJ7	1.6 Å	EC: 3.1.3.5	CRYSTAL STRUCTURE OF E112A MUTANT OF STATIONARY PHASE SURVIV (SURE) FROM SALMONELLA TYPHIMURIUM SOAKED WITH AMP	SALMONELLA TYPHIMURIUM (STRAIN LT2 / SATCC 700720)	STATIONARY PHASE SURVIVAL PROTEIN DOMAIN SWAPPING ROSSMANNLIKE PHOSPHATASE HYDROLASE
Ref.:	INSIGHTS INTO STABILIZING INTERACTIONS IN THE DISTO DOMAIN-SWAPPED DIMER OF SALMONELLA TYPHIMURIUM SURV PROTEIN. ACTA CRYSTALLOGR.,SECT.D V. 71 1812 2015

Members (2)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 10 families.
1	4XJ7	-	ADN	C10 H13 N5 O4	c1nc(c2c(n....
2	4XGP	-	ADE	C5 H5 N5	c1[nH]c2c(....

70% Homology Family (2)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 9 families.
1	4XJ7	-	ADN	C10 H13 N5 O4	c1nc(c2c(n....
2	4XGP	-	ADE	C5 H5 N5	c1[nH]c2c(....

50% Homology Family (2)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 8 families.
1	4XJ7	-	ADN	C10 H13 N5 O4	c1nc(c2c(n....
2	4XGP	-	ADE	C5 H5 N5	c1[nH]c2c(....

Polypharmacology

Similar Ligands (2D)

Ligand no: 1; Ligand: ADN; Similar ligands found: 362

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	RAB	1	1
2	XYA	1	1
3	ADN	1	1
4	5N5	0.811321	0.967742
5	A4D	0.796296	0.967742
6	5CD	0.796296	0.920635
7	MTA	0.758621	0.878788
8	EP4	0.754386	0.852941
9	M2T	0.741379	0.828571
10	DTA	0.741379	0.865672
11	AMP	0.709677	0.842857
12	A	0.709677	0.842857
13	3DH	0.704918	0.878788
14	ZAS	0.68254	0.84058
15	LMS	0.68254	0.7375
16	5AD	0.672727	0.854839
17	6RE	0.671875	0.830986
18	SRA	0.671875	0.797297
19	AMP MG	0.671875	0.855072
20	DSH	0.661538	0.842857
21	AOC	0.661538	0.907692
22	7D7	0.660714	0.875
23	A2D	0.651515	0.84507
24	ABM	0.651515	0.819444
25	J7C	0.651515	0.842857
26	A3N	0.651515	0.923077
27	45A	0.651515	0.819444
28	ADP	0.647059	0.84507
29	NWW	0.644068	0.870968
30	GJV	0.641791	0.819444
31	S4M	0.641791	0.766234
32	3AM	0.640625	0.828571
33	AN2	0.637681	0.833333
34	MAO	0.632353	0.75641
35	BA3	0.632353	0.84507
36	AP2	0.632353	0.810811
37	A12	0.632353	0.810811
38	Y3J	0.627119	0.828125
39	AP5	0.623188	0.84507
40	B4P	0.623188	0.84507
41	5AS	0.623188	0.714286
42	HEJ	0.619718	0.84507
43	5X8	0.619718	0.865672
44	ATP	0.619718	0.84507
45	ADP BEF	0.614286	0.842857
46	AT4	0.614286	0.810811
47	A7D	0.614286	0.909091
48	ADP MG	0.614286	0.842857
49	SON	0.614286	0.786667
50	5FA	0.611111	0.84507
51	APC	0.611111	0.810811
52	AQP	0.611111	0.84507
53	2FA	0.606557	0.924242
54	26A	0.606557	0.893939
55	ADX	0.605634	0.759494
56	M33	0.605634	0.833333
57	CA0	0.605634	0.821918
58	MHZ	0.605634	0.75641
59	AU1	0.605634	0.821918
60	AGS	0.60274	0.8
61	AD9	0.60274	0.821918
62	2AM	0.6	0.842857
63	50T	0.597222	0.833333
64	H1Q	0.597222	0.830986
65	KG4	0.597222	0.821918
66	SFG	0.597222	0.850746
67	ACP	0.597222	0.821918
68	MTP	0.590164	0.852941
69	AR6	0.589041	0.84507
70	PRX	0.589041	0.797297
71	APR	0.589041	0.84507
72	A3G	0.588235	0.938462
73	ACQ	0.586667	0.821918
74	T99	0.586667	0.810811
75	TAT	0.586667	0.810811
76	A3P	0.585714	0.816901
77	A5D	0.581081	0.865672
78	RBY	0.581081	0.810811
79	SA8	0.581081	0.794521
80	ADP PO3	0.581081	0.842857
81	ATP MG	0.581081	0.842857
82	APC MG	0.581081	0.819444
83	ADV	0.581081	0.810811
84	1DA	0.580645	1
85	6MD	0.580645	0.952381
86	ADQ	0.575	0.847222
87	OVE	0.573529	0.808219
88	SAH	0.573333	0.84058
89	BEF ADP	0.573333	0.819444
90	SAI	0.573333	0.828571
91	G5A	0.573333	0.714286
92	A22	0.56962	0.833333
93	KL2	0.569231	0.788732
94	GAP	0.565789	0.821918
95	SAM	0.565789	0.773333
96	ANP	0.565789	0.821918
97	NEC	0.565217	0.876923
98	3AD	0.564516	0.951613
99	6YZ	0.564103	0.821918
100	25A	0.5625	0.819444
101	7D5	0.560606	0.780822
102	5AL	0.558442	0.808219
103	8LE	0.558442	0.776316
104	EEM	0.558442	0.773333
105	V2G	0.558442	0.779221
106	AAT	0.558442	0.819444
107	HQG	0.556962	0.833333
108	NWQ	0.552239	0.84375
109	ANP MG	0.551282	0.808219
110	VO4 ADP	0.551282	0.797297
111	A5A	0.551282	0.719512
112	ALF ADP	0.551282	0.776316
113	ATF	0.551282	0.810811
114	CC5	0.55	0.935484
115	A3S	0.547945	0.953125
116	8LH	0.544304	0.810811
117	SMM	0.544304	0.74359
118	V47	0.544304	0.863636
119	SSA	0.544304	0.73494
120	SRP	0.544304	0.810811
121	S7M	0.544304	0.773333
122	QQX	0.544118	0.756757
123	S8M	0.54321	0.805556
124	N5O	0.542857	0.893939
125	ADP BMA	0.542169	0.847222
126	A2P	0.541667	0.802817
127	3D1	0.539683	0.907692
128	3L1	0.539683	0.907692
129	PAP	0.539474	0.830986
130	54H	0.5375	0.702381
131	52H	0.5375	0.694118
132	VMS	0.5375	0.702381
133	LSS	0.536585	0.678161
134	ERJ	0.536232	0.920635
135	ACK	0.536232	0.811594
136	QQY	0.536232	0.767123
137	K38	0.534884	0.910448
138	A3T	0.533333	0.968254
139	8LQ	0.530864	0.786667
140	TSB	0.530864	0.731707
141	MAP	0.530864	0.8
142	8X1	0.530864	0.689655
143	5CA	0.530864	0.73494
144	KY2	0.530864	0.797297
145	53H	0.530864	0.694118
146	QA7	0.530864	0.776316
147	DAL AMP	0.530864	0.808219
148	K2H	0.53012	0.855072
149	K3K	0.528736	0.910448
150	N5A	0.527778	0.863636
151	QXP	0.52439	0.740741
152	GEK	0.52439	0.805556
153	8QN	0.52439	0.808219
154	OZV	0.52439	0.84507
155	9ZA	0.52439	0.766234
156	5SV	0.52439	0.75641
157	9ZD	0.52439	0.766234
158	OOB	0.52439	0.808219
159	9X8	0.52381	0.8
160	OAD	0.52381	0.821918
161	25L	0.523256	0.833333
162	K3H	0.522727	0.871429
163	K2W	0.522727	0.859155
164	PPS	0.518987	0.7375
165	A1R	0.518072	0.813333
166	PAJ	0.518072	0.792208
167	KYB	0.518072	0.797297
168	A3R	0.518072	0.813333
169	0UM	0.518072	0.808219
170	AMO	0.518072	0.810811
171	4AD	0.518072	0.8
172	DSZ	0.518072	0.714286
173	NSS	0.518072	0.714286
174	K2K	0.517647	0.857143
175	6CR	0.515152	0.910448
176	SP1	0.514286	0.77027
177	RP1	0.514286	0.77027
178	2VA	0.513158	0.938462
179	AHX	0.511905	0.802632
180	00A	0.511905	0.766234
181	62X	0.511905	0.74359
182	NVA LMS	0.511905	0.670455
183	DLL	0.511905	0.808219
184	JNT	0.511905	0.847222
185	3OD	0.511628	0.821918
186	ME8	0.511628	0.728395
187	PTJ	0.511628	0.75641
188	HZ2	0.51087	0.847222
189	7D3	0.506849	0.783784
190	V3L	0.506329	0.819444
191	LEU LMS	0.505882	0.686047
192	K15	0.505882	0.763158
193	QXG	0.505882	0.731707
194	A6D	0.505882	0.763158
195	3UK	0.505882	0.797297
196	KAA	0.5	0.689655
197	WAQ	0.5	0.766234
198	PR8	0.5	0.759494
199	HY8	0.5	0.847222
200	2BA	0.5	0.814286
201	5F1	0.5	0.80597
202	CMP	0.5	0.826087
203	R2V	0.5	0.740741
204	LAD	0.5	0.769231
205	ATR	0.5	0.816901
206	NVA 2AD	0.5	0.884058
207	B5V	0.5	0.786667
208	AD3	0.5	1
209	GSU	0.5	0.694118
210	P5A	0.5	0.681818
211	KY8	0.5	0.819444
212	ATP A	0.494382	0.830986
213	ATP A A A	0.494382	0.830986
214	KMQ	0.494382	0.810811
215	NB8	0.494253	0.779221
216	1ZZ	0.494253	0.728395
217	JB6	0.494253	0.766234
218	9K8	0.494253	0.670455
219	BIS	0.494253	0.789474
220	TXA	0.494253	0.810811
221	SXZ	0.494253	0.773333
222	FYA	0.494253	0.808219
223	SO8	0.493671	0.924242
224	VRT	0.493671	0.897059
225	IVH	0.493333	0.835616
226	KY5	0.488636	0.842857
227	KB1	0.488636	0.783784
228	MYR AMP	0.488636	0.728395
229	2A5	0.487179	0.797297
230	NOC	0.484375	0.903226
231	4UV	0.483516	0.776316
232	9SN	0.483146	0.75641
233	A2R	0.481928	0.833333
234	7D4	0.480519	0.783784
235	B5Y	0.477778	0.776316
236	B5M	0.477778	0.776316
237	FA5	0.477778	0.786667
238	8PZ	0.477778	0.714286
239	D3Y	0.47619	0.924242
240	AR6 AR6	0.473118	0.819444
241	AFH	0.473118	0.792208
242	YSA	0.472527	0.694118
243	KYE	0.472527	0.776316
244	B1U	0.472527	0.655556
245	XAH	0.472527	0.75
246	EKK	0.469697	0.923077
247	NX8	0.469136	0.830986
248	TBN	0.46875	0.983607
249	3BH	0.46875	0.953125
250	NWZ	0.468354	0.816901
251	K3E	0.467391	0.897059
252	AMP DBH	0.467391	0.821918
253	101	0.465753	0.780822
254	LAQ	0.463158	0.728395
255	TO1	0.462687	0.952381
256	G3A	0.462366	0.779221
257	7C5	0.462366	0.819444
258	ERS	0.461538	0.855072
259	UPA	0.459184	0.813333
260	LPA AMP	0.458333	0.728395
261	ARG AMP	0.457447	0.740741
262	G5P	0.457447	0.779221
263	GA7	0.457447	0.835616
264	7MD	0.457447	0.772152
265	4UU	0.457447	0.776316
266	ERP	0.455696	0.90625
267	CUU	0.455696	0.819444
268	5ID	0.454545	0.923077
269	EKH	0.454545	0.923077
270	GTA	0.452632	0.75
271	KXW	0.452632	0.819444
272	DQV	0.452632	0.833333
273	KH3	0.452632	0.776316
274	TAD	0.452632	0.769231
275	4YB	0.452632	0.678161
276	J4G	0.449438	0.776316
277	3NZ	0.449438	0.884058
278	OMR	0.44898	0.740741
279	TYM	0.44898	0.786667
280	WSA	0.44898	0.702381
281	AHZ	0.447917	0.728395
282	FTU	0.447761	0.923077
283	KF5	0.446154	0.656716
284	139	0.445545	0.782051
285	Q2M	0.444444	0.773333
286	KOY	0.443299	0.855072
287	OZP	0.443299	0.794521
288	U4Y	0.443299	0.805556
289	48N	0.443299	0.779221
290	YLP	0.443299	0.731707
291	ARJ	0.441176	0.857143
292	AFX	0.441176	0.768116
293	LQJ	0.44086	0.819444
294	AV2	0.440476	0.77027
295	D5M	0.44	0.756757
296	DA	0.44	0.756757
297	5J9	0.43956	0.773333
298	4UW	0.438776	0.746835
299	EU9	0.438776	0.698795
300	6V0	0.438776	0.779221
301	NAI	0.438776	0.789474
302	TXD	0.438776	0.789474
303	UP5	0.438776	0.8
304	DND	0.438776	0.810811
305	NAX	0.438776	0.759494
306	PO4 PO4 A A A A PO4	0.438202	0.802817
307	NA7	0.438202	0.810811
308	MZR	0.4375	0.859375
309	V1N	0.43617	0.819444
310	HO4	0.434783	0.952381
311	TXE	0.434343	0.789474
312	N37	0.434343	0.802817
313	ALF ADP 3PG	0.434343	0.746835
314	649	0.434343	0.662921
315	AF3 ADP 3PG	0.434343	0.746835
316	IMO	0.434211	0.777778
317	3AT	0.433735	0.819444
318	Q2V	0.431373	0.783784
319	Q34	0.43	0.753247
320	NAD TDB	0.43	0.819444
321	YLB	0.43	0.731707
322	F0P	0.43	0.794521
323	7MC	0.43	0.753086
324	AP0	0.43	0.779221
325	4TC	0.43	0.779221
326	YLC	0.43	0.75
327	NAD IBO	0.43	0.819444
328	8Q2	0.43	0.689655
329	L3W	0.43	0.810811
330	6MZ	0.428571	0.805556
331	SGV	0.428571	0.967742
332	BS5	0.427184	0.674157
333	A4P	0.425743	0.73494
334	IOT	0.421569	0.722892
335	DAT	0.419753	0.76
336	COD	0.419048	0.72619
337	ADJ	0.417476	0.740741
338	T5A	0.417476	0.731707
339	YLA	0.417476	0.731707
340	AS	0.415584	0.717949
341	J1D	0.415094	0.625
342	0XU	0.414634	0.823529
343	AYB	0.413462	0.722892
344	CNA	0.413462	0.810811
345	103	0.413333	0.716216
346	80F	0.411215	0.731707
347	GMP	0.410959	0.882353
348	EO7	0.410256	0.702381
349	F2R	0.409524	0.753086
350	GGZ	0.409091	0.7125
351	ITT	0.407407	0.791667
352	BTX	0.40566	0.710843
353	Q2P	0.40566	0.753247
354	4TA	0.40566	0.719512
355	NAD	0.40566	0.808219
356	AMP NAD	0.40566	0.808219
357	O02	0.404762	0.779221
358	SFB	0.401961	0.709302
359	DZD	0.401869	0.769231
360	BT5	0.401869	0.702381
361	DTP	0.4	0.76
362	AF2 AF2 AF2 AF2 AF2 AF2	0.4	0.716216

Ligand no: 2; 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

Similar Ligands (3D)

Ligand no: 1; Ligand: ADN; Similar ligands found: 809

No:	Ligand	Similarity coefficient
1	NOS	1.0000
2	FMC	1.0000
3	IMH	1.0000
4	FM1	1.0000
5	E9P	1.0000
6	PMP	1.0000
7	5FD	0.9993
8	FMB	0.9983
9	9DI	0.9971
10	UA2	0.9903
11	PRH	0.9896
12	HPR	0.9896
13	MDR	0.9829
14	TAL	0.9826
15	FM2	0.9816
16	DBM	0.9816
17	PUR	0.9808
18	IMG	0.9808
19	4UO	0.9796
20	MTH	0.9782
21	RPP	0.9776
22	8OX	0.9757
23	5NB	0.9736
24	MTI	0.9729
25	CFE	0.9717
26	MTM	0.9717
27	CL9	0.9682
28	2FD	0.9677
29	GNG	0.9638
30	MCF	0.9607
31	MG7	0.9604
32	5I5	0.9604
33	DNB	0.9602
34	F01	0.9577
35	THM	0.9541
36	RFZ	0.9534
37	5MD	0.9532
38	5UD	0.9530
39	DCF	0.9519
40	13A	0.9495
41	SNI	0.9487
42	0DN	0.9486
43	RBV	0.9478
44	MCY	0.9477
45	SCT	0.9475
46	URI	0.9462
47	CTN	0.9454
48	NNR	0.9444
49	5BT	0.9440
50	TIZ	0.9431
51	B86	0.9428
52	XIF XYP	0.9394
53	CDY	0.9378
54	CTD	0.9378
55	ID2	0.9373
56	XYP XDN	0.9367
57	URD	0.9366
58	XDN XYP	0.9364
59	7CI	0.9360
60	TIA	0.9349
61	XIL	0.9338
62	XDL XYP	0.9334
63	TRP	0.9323
64	TMC	0.9322
65	XYP XYS	0.9312
66	5AE	0.9297
67	ZYV	0.9297
68	8HG	0.9295
69	DUR	0.9292
70	A4G	0.9285
71	XYP XIF	0.9282
72	N8M	0.9276
73	H7S	0.9274
74	2TU	0.9271
75	UUA	0.9270
76	3DT	0.9268
77	28A	0.9268
78	8DA	0.9265
79	NIR	0.9263
80	38B	0.9260
81	I5A	0.9253
82	XTS	0.9246
83	LVY	0.9241
84	Z8B	0.9240
85	AHU	0.9235
86	AGV	0.9229
87	NEO	0.9228
88	TYU	0.9228
89	DK4	0.9227
90	JMQ	0.9222
91	ZEB	0.9222
92	PIR	0.9221
93	GPK	0.9217
94	XYP XYP	0.9216
95	15Q	0.9215
96	DCZ	0.9214
97	EXX	0.9213
98	96Z	0.9196
99	C4F	0.9190
100	NQ7	0.9189
101	2JX	0.9189
102	Z57	0.9188
103	II4	0.9187
104	833	0.9186
105	ACE TRP	0.9184
106	C2M	0.9182
107	Z15	0.9180
108	2QU	0.9179
109	GEO	0.9178
110	ZYW	0.9168
111	GA2	0.9162
112	GPQ	0.9157
113	3RP	0.9157
114	92O	0.9155
115	ZIQ	0.9148
116	THU	0.9147
117	GFE	0.9144
118	S0G	0.9143
119	X29	0.9138
120	EAT	0.9137
121	4ZF	0.9133
122	LLT	0.9129
123	TR7	0.9128
124	9UL	0.9127
125	CTE	0.9125
126	DIH	0.9125
127	GPU	0.9123
128	5V7	0.9122
129	4MP	0.9121
130	XYP AHR	0.9120
131	EF2	0.9119
132	2P3	0.9115
133	EZB	0.9115
134	50Q	0.9114
135	EXG	0.9113
136	0OK	0.9113
137	JO5	0.9106
138	WCU	0.9103
139	LOX XYP	0.9102
140	DTE	0.9100
141	5BX	0.9100
142	MBY	0.9097
143	3CA	0.9094
144	ETV	0.9093
145	4OZ	0.9092
146	1SF	0.9088
147	JSX	0.9084
148	RVD	0.9084
149	XYS XYP	0.9082
150	1ZC	0.9080
151	BMC	0.9079
152	VCE	0.9078
153	42R	0.9076
154	Y70	0.9074
155	BBY	0.9073
156	JFS	0.9071
157	4GU	0.9070
158	NE1	0.9070
159	XYS AZI XYS	0.9069
160	ZJB	0.9068
161	DBS	0.9068
162	FC2	0.9067
163	X2M	0.9067
164	5JT	0.9066
165	AR3	0.9065
166	8P3	0.9062
167	6EL	0.9061
168	EZN	0.9060
169	J27	0.9060
170	JA3	0.9058
171	1Q4	0.9056
172	SX3	0.9055
173	YE6	0.9055
174	BVD	0.9055
175	PE2	0.9054
176	S1D	0.9052
177	69K	0.9049
178	A4N	0.9047
179	AUE	0.9046
180	EAJ	0.9045
181	P2L	0.9045
182	B2L	0.9044
183	L2K	0.9042
184	SA0	0.9039
185	28B	0.9034
186	GP0	0.9031
187	LL1	0.9031
188	XYS XYS	0.9029
189	BRD	0.9029
190	RVC	0.9029
191	JF8	0.9028
192	MPU	0.9024
193	KCH	0.9023
194	AOJ	0.9023
195	BC3	0.9020
196	DFL	0.9018
197	22L	0.9018
198	SGP	0.9018
199	AVX	0.9017
200	R9G	0.9017
201	Q5M	0.9016
202	OUA	0.9010
203	IM5	0.9009
204	H4B	0.9009
205	0GA	0.9008
206	Q11	0.9005
207	AUV	0.9004
208	C1Y	0.9004
209	ELH	0.9003
210	1FL	0.9003
211	2QV	0.9002
212	A18	0.9002
213	VBC	0.9002
214	PZ8	0.9000
215	9CE	0.8999
216	ITW	0.8999
217	6J3	0.8998
218	EQU	0.8996
219	CUH	0.8995
220	KP2	0.8994
221	5P7	0.8992
222	C0H	0.8991
223	DDU	0.8991
224	FT6	0.8988
225	C4E	0.8988
226	H2B	0.8988
227	HBI	0.8988
228	7VF	0.8987
229	D64	0.8986
230	AUG	0.8986
231	F4U	0.8985
232	2GD	0.8982
233	DKZ	0.8981
234	TI7	0.8981
235	UX0	0.8978
236	9FH	0.8978
237	Z2T	0.8977
238	DKX	0.8975
239	CX5	0.8975
240	TCC	0.8975
241	B21	0.8974
242	CJB	0.8974
243	B5A	0.8972
244	4AB	0.8972
245	MFR	0.8972
246	XYP XIM	0.8972
247	FT1	0.8971
248	IXG	0.8969
249	W29	0.8969
250	6SW	0.8968
251	3WO	0.8967
252	3WN	0.8967
253	A4V	0.8965
254	RK4	0.8965
255	M01	0.8964
256	Q9T	0.8964
257	Q2S	0.8963
258	H75	0.8962
259	14Z	0.8962
260	TCL	0.8962
261	6SX	0.8961
262	NXB	0.8961
263	3IL	0.8960
264	0OO	0.8960
265	RVB	0.8959
266	FWD	0.8959
267	KWB	0.8957
268	4CN	0.8957
269	1KN	0.8957
270	HVE	0.8955
271	BZM	0.8954
272	FB4	0.8949
273	2J5	0.8947
274	4K2	0.8946
275	NEU	0.8946
276	LTN	0.8945
277	7FZ	0.8945
278	5GV	0.8944
279	PW1	0.8944
280	EXL	0.8944
281	TJM	0.8944
282	AJ4	0.8943
283	FHI	0.8942
284	M83	0.8942
285	G14	0.8942
286	7D1 MAN	0.8941
287	C0Y	0.8939
288	Q4G	0.8939
289	ID8	0.8938
290	0QV	0.8938
291	6WR	0.8938
292	J3Z	0.8937
293	78U	0.8935
294	SBI	0.8935
295	TLF	0.8934
296	G30	0.8934
297	EST	0.8933
298	PCG	0.8933
299	D1M	0.8933
300	AZZ	0.8933
301	DTR	0.8931
302	EV2	0.8930
303	FCW	0.8929
304	CJZ	0.8928
305	K80	0.8923
306	ISX	0.8922
307	DHZ	0.8922
308	IMK	0.8918
309	092	0.8918
310	XEV	0.8918
311	JMS	0.8917
312	HHV	0.8916
313	0FR	0.8914
314	DXK	0.8914
315	ALN	0.8912
316	5E5	0.8911
317	4L2	0.8910
318	EMU	0.8907
319	3Y7	0.8906
320	27M	0.8906
321	RE4	0.8906
322	SY4	0.8902
323	MAN IFM	0.8902
324	6WU	0.8901
325	B4L	0.8900
326	7AP	0.8900
327	88R	0.8898
328	4OG	0.8895
329	1CY	0.8895
330	7ZL	0.8894
331	BIO	0.8894
332	W23	0.8894
333	NAL	0.8893
334	CQW	0.8893
335	GAT	0.8892
336	IM4	0.8891
337	WV7	0.8890
338	F40	0.8890
339	YX1	0.8889
340	6QT	0.8889
341	TGW	0.8887
342	DS8	0.8887
343	ANU	0.8886
344	STZ	0.8886
345	TH4	0.8885
346	Q9P	0.8885
347	4I5	0.8883
348	AV4	0.8882
349	OA1	0.8880
350	JPB	0.8877
351	2L2	0.8877
352	WLH	0.8877
353	IQW	0.8876
354	2L1	0.8876
355	CWD	0.8875
356	6J9	0.8875
357	TH1	0.8871
358	KW7	0.8870
359	4NR	0.8869
360	ZRK	0.8867
361	WVV	0.8867
362	KUP	0.8866
363	JVQ	0.8865
364	LDC	0.8864
365	MR6	0.8864
366	FMP	0.8863
367	LM7	0.8863
368	RR7 GLC	0.8862
369	LVB	0.8862
370	16Z	0.8862
371	IMP	0.8862
372	Z16	0.8861
373	KYN	0.8861
374	MEX	0.8861
375	WL3	0.8860
376	M5H	0.8859
377	9FG	0.8859
378	5E4	0.8859
379	9ME	0.8857
380	EXR	0.8857
381	272	0.8857
382	3D8	0.8856
383	7G0	0.8856
384	1XS	0.8854
385	JOB	0.8854
386	3TC	0.8853
387	BHS	0.8853
388	IA2	0.8852
389	BGC GLC	0.8852
390	ZEZ	0.8850
391	DGO Z61	0.8850
392	B2X	0.8848
393	21E	0.8847
394	KMG	0.8847
395	0SY	0.8846
396	A7K	0.8845
397	AGI	0.8845
398	3WJ	0.8842
399	BPY	0.8841
400	ZMG	0.8840
401	B1T	0.8840
402	OCZ	0.8840
403	6SZ	0.8840
404	QMR	0.8839
405	0DF	0.8839
406	GLC 7LQ	0.8838
407	GN6	0.8837
408	NIY	0.8836
409	4YE	0.8836
410	AVA	0.8835
411	J47	0.8835
412	AWE	0.8834
413	M02	0.8832
414	IWH	0.8831
415	0J4	0.8830
416	TVZ	0.8830
417	TDI	0.8830
418	FY8	0.8829
419	1V1	0.8828
420	17M	0.8828
421	DNQ	0.8828
422	NAR	0.8826
423	VJJ	0.8825
424	5CK	0.8825
425	PCQ	0.8825
426	IMQ	0.8825
427	7L4	0.8823
428	AP6	0.8823
429	2LT	0.8822
430	RUG	0.8821
431	Q2R	0.8820
432	BGC BMA	0.8820
433	7CH	0.8820
434	JY4	0.8819
435	GAL FUC	0.8818
436	5S9	0.8818
437	BWD	0.8817
438	26C	0.8816
439	QME	0.8816
440	DBQ	0.8816
441	581	0.8815
442	8WB	0.8815
443	848	0.8814
444	HA6	0.8814
445	TYP	0.8814
446	Z17	0.8813
447	64I	0.8812
448	AX8	0.8812
449	A73	0.8811
450	CH8	0.8811
451	IRP	0.8810
452	1TD	0.8810
453	2DL	0.8807
454	MQR	0.8807
455	0XR	0.8807
456	3QI	0.8806
457	LJ4	0.8806
458	35G	0.8806
459	IFM BGC	0.8805
460	M77	0.8805
461	KS5	0.8804
462	XFE	0.8803
463	M3F	0.8802
464	A7M	0.8800
465	LTT	0.8800
466	CUT	0.8800
467	3AK	0.8800
468	X0T	0.8800
469	CMU	0.8800
470	ZSP	0.8799
471	FYR	0.8799
472	GLC IFM	0.8798
473	885	0.8797
474	Q92	0.8796
475	DFV	0.8796
476	QKU	0.8796
477	NWD	0.8796
478	6U5	0.8793
479	M0N	0.8792
480	FPL	0.8792
481	DI	0.8791
482	A4T	0.8791
483	H35	0.8791
484	12R	0.8791
485	DAH	0.8791
486	54F	0.8790
487	5B2	0.8789
488	U4J	0.8789
489	GEN	0.8789
490	MW5	0.8788
491	KMP	0.8788
492	QTS	0.8788
493	AEY	0.8788
494	BDJ	0.8787
495	17C	0.8786
496	H70	0.8785
497	5VU	0.8782
498	38E	0.8781
499	X48	0.8780
500	1A5	0.8779
501	5GP	0.8778
502	6NZ	0.8778
503	M2E	0.8776
504	E1N	0.8776
505	IMV	0.8775
506	4E5	0.8774
507	JGB	0.8773
508	7EH	0.8772
509	0DJ	0.8772
510	L5D	0.8772
511	54E	0.8771
512	51Y	0.8770
513	DE7	0.8770
514	7G1	0.8770
515	CNI	0.8770
516	6FB	0.8770
517	QRP	0.8769
518	PQT	0.8767
519	PF1	0.8767
520	Q0K	0.8766
521	EDG AHR	0.8765
522	363	0.8765
523	5C1	0.8765
524	PVQ	0.8764
525	OA4	0.8764
526	AC2	0.8764
527	IWD	0.8762
528	68B	0.8761
529	BMA BMA	0.8761
530	3IP	0.8761
531	PBQ	0.8759
532	56N	0.8759
533	MJ5	0.8758
534	75G	0.8757
535	CU8	0.8757
536	5WK	0.8756
537	BGC OXZ	0.8755
538	X6P	0.8754
539	HRM	0.8753
540	1DR	0.8753
541	6SY	0.8753
542	YUG	0.8753
543	8D6	0.8753
544	8BR	0.8751
545	C93	0.8749
546	WS6	0.8749
547	47V	0.8748
548	N8Z	0.8747
549	DGO MAN	0.8744
550	ESL	0.8743
551	CP6	0.8742
552	GJB	0.8741
553	CP7	0.8741
554	0OL	0.8741
555	MAN G63	0.8741
556	MIL	0.8741
557	2UD	0.8740
558	GW3	0.8740
559	4F0	0.8740
560	2J2	0.8739
561	9W5	0.8739
562	5NN	0.8739
563	QNI	0.8738
564	GDQ GLC	0.8738
565	3WK	0.8737
566	DIF	0.8737
567	X11	0.8736
568	0Q2	0.8735
569	ESR	0.8735
570	6ZW	0.8733
571	LZJ	0.8733
572	HWD	0.8733
573	HNT	0.8733
574	6HO	0.8732
575	PRL	0.8729
576	MXD	0.8728
577	BA5	0.8728
578	5CQ	0.8725
579	L3L	0.8725
580	PVK	0.8722
581	RHN	0.8721
582	MMA XYP	0.8721
583	HBO	0.8720
584	AMR	0.8719
585	BP3	0.8719
586	ESZ	0.8718
587	WOE	0.8718
588	6TX	0.8717
589	DG	0.8717
590	FCD	0.8716
591	IQQ	0.8715
592	0ON	0.8714
593	2GQ	0.8713
594	B23	0.8713
595	LRT	0.8712
596	G	0.8712
597	GF7	0.8712
598	4AF	0.8711
599	0X2	0.8711
600	GLC DMJ	0.8711
601	2JM	0.8710
602	AP4	0.8710
603	53X	0.8709
604	57D	0.8708
605	3GC	0.8708
606	MMS	0.8708
607	3VW	0.8708
608	FC3	0.8707
609	MGI	0.8706
610	71V	0.8705
611	8OE	0.8705
612	6DQ	0.8704
613	P4L	0.8703
614	RNK	0.8702
615	KWH	0.8702
616	J84	0.8701
617	E1K	0.8700
618	TC8	0.8700
619	XDH	0.8700
620	NPS	0.8700
621	B52	0.8699
622	NE2	0.8698
623	BGC GAL	0.8698
624	4EU	0.8697
625	T3P	0.8697
626	0J2	0.8696
627	TOP	0.8694
628	FMQ	0.8693
629	0HY	0.8693
630	FT3	0.8693
631	8OP	0.8692
632	51P	0.8691
633	DY5	0.8691
634	H52	0.8690
635	BGC BGC	0.8689
636	3WF	0.8688
637	N1Y	0.8688
638	2GE	0.8688
639	BP7	0.8687
640	A4Q	0.8687
641	A6H	0.8687
642	FBC	0.8686
643	4FF	0.8686
644	0J5	0.8685
645	DPT	0.8685
646	YZ9	0.8684
647	XMP	0.8683
648	MAN MNM	0.8683
649	PIQ	0.8682
650	DGP	0.8682
651	6DE	0.8681
652	4WF	0.8680
653	IMU	0.8679
654	AOX	0.8679
655	W8G	0.8678
656	5P3	0.8678
657	PQS	0.8678
658	ER6	0.8678
659	537	0.8677
660	MUK	0.8676
661	5SJ	0.8674
662	IFM BMA	0.8674
663	IOS	0.8673
664	KLT	0.8673
665	GLC BGC	0.8672
666	8OB	0.8672
667	8CS	0.8671
668	WUB	0.8671
669	VM7	0.8669
670	OX2	0.8669
671	5XL	0.8669
672	145	0.8669
673	LU2	0.8668
674	KXN	0.8665
675	4AU	0.8665
676	CGW	0.8664
677	9PP	0.8663
678	5CJ	0.8663
679	CPW	0.8662
680	2KU	0.8661
681	1YO	0.8660
682	OUG	0.8660
683	DX6	0.8658
684	A4B	0.8655
685	BDT	0.8655
686	5F7	0.8654
687	OUB	0.8654
688	CBE	0.8653
689	DCN	0.8652
690	2GP	0.8651
691	FLF	0.8651
692	BGU	0.8651
693	JNW	0.8650
694	6J7	0.8650
695	RDT	0.8649
696	TMP	0.8647
697	159	0.8647
698	6MA	0.8646
699	RSV	0.8644
700	FT2	0.8643
701	Z25	0.8642
702	22T	0.8641
703	V1T	0.8640
704	BZQ	0.8639
705	DRG	0.8639
706	1VK	0.8636
707	X04	0.8636
708	CX6	0.8635
709	CHQ	0.8633
710	G6P	0.8633
711	6CG	0.8631
712	JO8	0.8631
713	5TY	0.8631
714	2K8	0.8630
715	5WN	0.8630
716	D9Z	0.8629
717	A5K	0.8628
718	9JT	0.8627
719	0OY	0.8626
720	SJK	0.8625
721	1HP	0.8624
722	LFN	0.8624
723	7GP	0.8623
724	IMB	0.8621
725	78P	0.8621
726	5O5	0.8621
727	YIH	0.8621
728	XCG	0.8620
729	BIE	0.8619
730	3JC	0.8618
731	TES	0.8617
732	5YA	0.8614
733	WSD	0.8614
734	S60	0.8614
735	3GP	0.8614
736	IQP	0.8614
737	T61	0.8613
738	2J1	0.8612
739	L13	0.8611
740	7NU	0.8611
741	IQZ	0.8610
742	ZEA	0.8610
743	VIB	0.8608
744	6GP	0.8607
745	U5P	0.8606
746	BP6	0.8606
747	CHJ	0.8605
748	PRO LEU	0.8603
749	4P8	0.8602
750	ARP	0.8601
751	LP8	0.8600
752	AUT	0.8599
753	IOP	0.8597
754	8CB	0.8596
755	AMZ	0.8596
756	NIA	0.8595
757	T1N	0.8594
758	6J5	0.8592
759	4FC	0.8591
760	47X	0.8591
761	6VW	0.8590
762	OSY	0.8590
763	KW8	0.8589
764	72E	0.8588
765	4BF	0.8588
766	5SD	0.8587
767	977	0.8587
768	QMS	0.8586
769	KHP	0.8585
770	A8Q	0.8584
771	HRX	0.8583
772	S98	0.8582
773	FER	0.8581
774	APS	0.8580
775	9F8	0.8580
776	TYR	0.8579
777	HLP	0.8578
778	50C	0.8578
779	FQX	0.8578
780	11X	0.8575
781	RKN	0.8575
782	PQM	0.8572
783	LWS	0.8571
784	D87	0.8568
785	RPN	0.8566
786	43F	0.8564
787	HNH	0.8561
788	0K7	0.8561
789	UM3	0.8558
790	XDI	0.8557
791	JFZ	0.8554
792	LUM	0.8554
793	N1E	0.8553
794	92G	0.8550
795	GNV	0.8549
796	1KX	0.8547
797	X0U	0.8545
798	YIP	0.8545
799	BZE	0.8544
800	BG6	0.8541
801	BGP	0.8540
802	9JH	0.8540
803	N2Y	0.8536
804	GLC GAL	0.8528
805	MYT	0.8526
806	CIW	0.8523
807	U2Z	0.8517
808	OSP	0.8513
809	LJ3	0.8513

Ligand no: 2; 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

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

Pocket No.: 1; Query (leader) PDB : 4XJ7; Ligand: ADN; 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: 4xj7.bio2) has 17 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 2; Query (leader) PDB : 4XJ7; Ligand: ADE; 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: 4xj7.bio1) has 10 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 3; Query (leader) PDB : 4XJ7; Ligand: ADN; 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: 4xj7.bio1) has 14 residues
No:	Leader PDB	Ligand	Sequence Similarity

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