Binding MOAD - The Mother of All Databases

Navigate: Expand All | Collapse All; Receptor | Ligand | View in 3D; Family: 90% | 70% | 50% | site
External Links: |
Download: Structure Biounit | Ligand Information; PDB : .ZIP | .CSV; Family 90% : .ZIP | .CSV; Class : .ZIP | .CSV

Receptor

PDB id	Resolution	Class	Description	Source	Keywords
1jhy	2 Å	EC: 2.4.2.21	THREE-DIMENSIONAL STRUCTURE OF COBT IN COMPLEX WITH PHENOL A NICOTINATE	SALMONELLA ENTERICA	COBT COBALAMIN BIOSYNTHESIS LOWER LIGAND COBAMIDES NN:DBN1-ALPHA-PHOSPHORIBOSYLTRANSFERASE TRANSFERASE
Ref.:	STRUCTURAL INVESTIGATION OF THE BIOSYNTHESIS OF ALT LOWER LIGANDS FOR COBAMIDES BY NICOTINATE MONONUCLE 5,6-DIMETHYLBENZIMIDAZOLE PHOSPHORIBOSYLTRANSFERASE SALMONELLA ENTERICA. J.BIOL.CHEM. V. 276 37612 2001

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	Molecular Weight (Da)	Formula	SMILES
IPH	A:990;	Valid;	none;	submit data	94.111	C6 H6 O	c1ccc...
NIO	A:991;	Valid;	none;	submit data	123.109	C6 H5 N O2	c1cc(...
PO4	A:992;	Invalid;	none;	submit data	94.971	O4 P	[O-]P...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
4KQI	1.4 Å	EC: 2.4.2.21	CRYSTAL STRUCTURE OF COBT E317A COMPLEXED WITH ITS REACTION	SALMONELLA ENTERICA SUBSP. ENTERICA SETYPHIMURIUM	TRANSFERASE
Ref.:	DISSECTING COBAMIDE DIVERSITY THROUGH STRUCTURAL AN FUNCTIONAL ANALYSES OF THE BASE-ACTIVATING COBT ENZ SALMONELLA ENTERICA. BIOCHIM.BIOPHYS.ACTA V.1840 464 2014

Members (31)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 2 families.
1	1L4G	-	NCN	C11 H14 N O9 P	c1cc(c[n+]....
2	1D0S	-	DMD	C9 H10 N2	Cc1cc2c(cc....
3	1L4K	-	NCN	C11 H14 N O9 P	c1cc(c[n+]....
4	4KQF	-	ADE	C5 H5 N5	c1[nH]c2c(....
5	4KQJ	-	PCR	C7 H8 O	Cc1ccc(cc1....
6	1L4F	-	NCN	C11 H14 N O9 P	c1cc(c[n+]....
7	1JHV	-	PCR	C7 H8 O	Cc1ccc(cc1....
8	4KQG	-	DMD	C9 H10 N2	Cc1cc2c(cc....
9	1L4N	-	NIO	C6 H5 N O2	c1cc(cnc1)....
10	1JHM	-	5MB	C8 H8 N2	Cc1ccc2c(c....
11	1JHU	-	PCR	C7 H8 O	Cc1ccc(cc1....
12	1JH8	-	ADE	C5 H5 N5	c1[nH]c2c(....
13	1L4M	-	NCN	C11 H14 N O9 P	c1cc(c[n+]....
14	1L5L	-	NIO	C6 H5 N O2	c1cc(cnc1)....
15	1L4L	-	XYD	C8 H11 N	Cc1ccc(c(c....
16	1JHQ	-	PMO	C13 H17 N2 O8 P	COc1ccc2c(....
17	1L5K	-	NIO	C6 H5 N O2	c1cc(cnc1)....
18	1JHP	-	5OB	C8 H8 N2 O	COc1ccc2c(....
19	1JHY	-	NIO	C6 H5 N O2	c1cc(cnc1)....
20	1L5M	-	NIO	C6 H5 N O2	c1cc(cnc1)....
21	1JHA	-	NIO	C6 H5 N O2	c1cc(cnc1)....
22	1JHX	-	IPH	C6 H6 O	c1ccc(cc1)....
23	1JHO	-	RMB	C13 H17 N2 O7 P	Cc1ccc2c(c....
24	1JHR	-	P2P	C10 H13 N4 O8 P	c1c2c(ncn2....
25	1L4E	-	RBZ	C14 H19 N2 O7 P	Cc1cc2c(cc....
26	4KQK	-	PCR	C7 H8 O	Cc1ccc(cc1....
27	1D0V	-	RBZ	C14 H19 N2 O7 P	Cc1cc2c(cc....
28	1L5O	-	NCN	C11 H14 N O9 P	c1cc(c[n+]....
29	1L5F	-	BZI	C7 H6 N2	c1ccc2c(c1....
30	1L4H	-	NCN	C11 H14 N O9 P	c1cc(c[n+]....
31	4KQI	-	NIO	C6 H5 N O2	c1cc(cnc1)....

70% Homology Family (31)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 2 families.
1	1L4G	-	NCN	C11 H14 N O9 P	c1cc(c[n+]....
2	1D0S	-	DMD	C9 H10 N2	Cc1cc2c(cc....
3	1L4K	-	NCN	C11 H14 N O9 P	c1cc(c[n+]....
4	4KQF	-	ADE	C5 H5 N5	c1[nH]c2c(....
5	4KQJ	-	PCR	C7 H8 O	Cc1ccc(cc1....
6	1L4F	-	NCN	C11 H14 N O9 P	c1cc(c[n+]....
7	1JHV	-	PCR	C7 H8 O	Cc1ccc(cc1....
8	4KQG	-	DMD	C9 H10 N2	Cc1cc2c(cc....
9	1L4N	-	NIO	C6 H5 N O2	c1cc(cnc1)....
10	1JHM	-	5MB	C8 H8 N2	Cc1ccc2c(c....
11	1JHU	-	PCR	C7 H8 O	Cc1ccc(cc1....
12	1JH8	-	ADE	C5 H5 N5	c1[nH]c2c(....
13	1L4M	-	NCN	C11 H14 N O9 P	c1cc(c[n+]....
14	1L5L	-	NIO	C6 H5 N O2	c1cc(cnc1)....
15	1L4L	-	XYD	C8 H11 N	Cc1ccc(c(c....
16	1JHQ	-	PMO	C13 H17 N2 O8 P	COc1ccc2c(....
17	1L5K	-	NIO	C6 H5 N O2	c1cc(cnc1)....
18	1JHP	-	5OB	C8 H8 N2 O	COc1ccc2c(....
19	1JHY	-	NIO	C6 H5 N O2	c1cc(cnc1)....
20	1L5M	-	NIO	C6 H5 N O2	c1cc(cnc1)....
21	1JHA	-	NIO	C6 H5 N O2	c1cc(cnc1)....
22	1JHX	-	IPH	C6 H6 O	c1ccc(cc1)....
23	1JHO	-	RMB	C13 H17 N2 O7 P	Cc1ccc2c(c....
24	1JHR	-	P2P	C10 H13 N4 O8 P	c1c2c(ncn2....
25	1L4E	-	RBZ	C14 H19 N2 O7 P	Cc1cc2c(cc....
26	4KQK	-	PCR	C7 H8 O	Cc1ccc(cc1....
27	1D0V	-	RBZ	C14 H19 N2 O7 P	Cc1cc2c(cc....
28	1L5O	-	NCN	C11 H14 N O9 P	c1cc(c[n+]....
29	1L5F	-	BZI	C7 H6 N2	c1ccc2c(c1....
30	1L4H	-	NCN	C11 H14 N O9 P	c1cc(c[n+]....
31	4KQI	-	NIO	C6 H5 N O2	c1cc(cnc1)....

50% Homology Family (31)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 5 families.
1	1L4G	-	NCN	C11 H14 N O9 P	c1cc(c[n+]....
2	1D0S	-	DMD	C9 H10 N2	Cc1cc2c(cc....
3	1L4K	-	NCN	C11 H14 N O9 P	c1cc(c[n+]....
4	4KQF	-	ADE	C5 H5 N5	c1[nH]c2c(....
5	4KQJ	-	PCR	C7 H8 O	Cc1ccc(cc1....
6	1L4F	-	NCN	C11 H14 N O9 P	c1cc(c[n+]....
7	1JHV	-	PCR	C7 H8 O	Cc1ccc(cc1....
8	4KQG	-	DMD	C9 H10 N2	Cc1cc2c(cc....
9	1L4N	-	NIO	C6 H5 N O2	c1cc(cnc1)....
10	1JHM	-	5MB	C8 H8 N2	Cc1ccc2c(c....
11	1JHU	-	PCR	C7 H8 O	Cc1ccc(cc1....
12	1JH8	-	ADE	C5 H5 N5	c1[nH]c2c(....
13	1L4M	-	NCN	C11 H14 N O9 P	c1cc(c[n+]....
14	1L5L	-	NIO	C6 H5 N O2	c1cc(cnc1)....
15	1L4L	-	XYD	C8 H11 N	Cc1ccc(c(c....
16	1JHQ	-	PMO	C13 H17 N2 O8 P	COc1ccc2c(....
17	1L5K	-	NIO	C6 H5 N O2	c1cc(cnc1)....
18	1JHP	-	5OB	C8 H8 N2 O	COc1ccc2c(....
19	1JHY	-	NIO	C6 H5 N O2	c1cc(cnc1)....
20	1L5M	-	NIO	C6 H5 N O2	c1cc(cnc1)....
21	1JHA	-	NIO	C6 H5 N O2	c1cc(cnc1)....
22	1JHX	-	IPH	C6 H6 O	c1ccc(cc1)....
23	1JHO	-	RMB	C13 H17 N2 O7 P	Cc1ccc2c(c....
24	1JHR	-	P2P	C10 H13 N4 O8 P	c1c2c(ncn2....
25	1L4E	-	RBZ	C14 H19 N2 O7 P	Cc1cc2c(cc....
26	4KQK	-	PCR	C7 H8 O	Cc1ccc(cc1....
27	1D0V	-	RBZ	C14 H19 N2 O7 P	Cc1cc2c(cc....
28	1L5O	-	NCN	C11 H14 N O9 P	c1cc(c[n+]....
29	1L5F	-	BZI	C7 H6 N2	c1ccc2c(c1....
30	1L4H	-	NCN	C11 H14 N O9 P	c1cc(c[n+]....
31	4KQI	-	NIO	C6 H5 N O2	c1cc(cnc1)....

Polypharmacology

Similar Ligands (2D)

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

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	IPH	1	1
2	HQE	0.4375	0.769231
3	RCO	0.421053	0.666667
4	HX8	0.407407	0.666667

Ligand no: 2; Ligand: NIO; Similar ligands found: 6

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	NIO	1	1
2	PQM	0.512821	0.789474
3	5F8	0.487805	0.789474
4	BEZ	0.433333	0.625
5	5HN	0.428571	0.695652
6	61O	0.418605	0.714286

Similar Ligands (3D)

Ligand no: 1; Ligand: IPH; Similar ligands found: 649

No:	Ligand	Similarity coefficient
1	CYH	1.0269
2	93B	1.0000
3	V1L	1.0000
4	A2Q	1.0000
5	2IM	1.0000
6	CXL	1.0000
7	HAI	1.0000
8	7EX	1.0000
9	ASP	1.0000
10	ETF	1.0000
11	L60	1.0000
12	GXE	1.0000
13	8CL	1.0000
14	3AP	1.0000
15	2AP	1.0000
16	MBN	1.0000
17	4AP	1.0000
18	LGA	1.0000
19	WOT	1.0000
20	9PO	1.0000
21	HVK	1.0000
22	HRZ	1.0000
23	1CB	0.9946
24	TTO	0.9939
25	HHN	0.9935
26	6SP	0.9930
27	ATQ	0.9900
28	BAQ	0.9885
29	GBL	0.9885
30	PIH	0.9864
31	HGW	0.9844
32	CEJ	0.9832
33	HYN	0.9831
34	2KT	0.9825
35	MB3	0.9825
36	3TR	0.9825
37	MZY	0.9825
38	AMC	0.9823
39	3MT	0.9822
40	KSW	0.9818
41	282	0.9813
42	AMT	0.9805
43	HSL	0.9803
44	MZ0	0.9803
45	SYN	0.9791
46	MR3	0.9789
47	ECE	0.9782
48	5MP	0.9781
49	HPY	0.9777
50	URA	0.9766
51	HOW	0.9762
52	26D	0.9748
53	FPI	0.9747
54	2MZ	0.9746
55	4MZ	0.9746
56	1MZ	0.9744
57	2AI	0.9742
58	DUC	0.9742
59	4JU	0.9736
60	DGY	0.9723
61	5KX	0.9721
62	MMZ	0.9720
63	4AX	0.9718
64	HBX	0.9717
65	ABN	0.9714
66	PYF	0.9707
67	LG4	0.9707
68	LG3	0.9707
69	APY	0.9705
70	H3M	0.9698
71	93Q	0.9698
72	CYT	0.9698
73	DA1	0.9697
74	PLQ	0.9696
75	ICC	0.9696
76	24T	0.9693
77	XIX	0.9691
78	FPN	0.9689
79	JZ6	0.9688
80	284	0.9685
81	CRS	0.9684
82	PCR	0.9684
83	25T	0.9677
84	NBE	0.9676
85	8GF	0.9673
86	HUI	0.9672
87	PY7	0.9669
88	40O	0.9668
89	NVI	0.9668
90	3ZQ	0.9667
91	4XX	0.9665
92	8LG	0.9665
93	2MH	0.9662
94	CAQ	0.9657
95	RP7	0.9649
96	ES3	0.9646
97	PRI	0.9645
98	PXY	0.9643
99	25R	0.9640
100	1AN	0.9639
101	938	0.9637
102	LG5	0.9636
103	BVF	0.9635
104	9CL	0.9635
105	BEW	0.9633
106	CIG	0.9632
107	BNZ	0.9632
108	3CH	0.9630
109	B20	0.9629
110	DTI	0.9628
111	DMI	0.9628
112	03W	0.9626
113	SMB	0.9625
114	2CH	0.9622
115	BYZ	0.9620
116	1MR	0.9618
117	JZ0	0.9617
118	PYJ	0.9616
119	DXX	0.9614
120	HTS	0.9614
121	MLI	0.9613
122	1DH	0.9613
123	FP2	0.9610
124	DSN	0.9610
125	HIU	0.9607
126	2RA	0.9604
127	XYS	0.9603
128	285	0.9603
129	280	0.9603
130	4CH	0.9603
131	0PY	0.9602
132	MLA	0.9600
133	DMG	0.9600
134	E60	0.9599
135	SER	0.9599
136	PHZ	0.9597
137	TMZ	0.9597
138	92Z	0.9596
139	IDH	0.9596
140	4JN	0.9591
141	3ZS	0.9588
142	TMT	0.9588
143	B24	0.9585
144	6X8	0.9583
145	THR	0.9582
146	A3B	0.9582
147	DBB	0.9582
148	76X	0.9582
149	BML	0.9581
150	4HS	0.9580
151	BVC	0.9579
152	3PY	0.9579
153	L89	0.9576
154	HVQ	0.9576
155	DE2	0.9568
156	P1R	0.9563
157	BVG	0.9561
158	PYZ	0.9559
159	IOL	0.9554
160	KG7	0.9553
161	4H2	0.9548
162	278	0.9544
163	GOL	0.9543
164	2AF	0.9540
165	CYS	0.9539
166	OXL	0.9532
167	HGQ	0.9528
168	XAP	0.9524
169	J1Z	0.9521
170	HEW	0.9516
171	M3T	0.9514
172	B3R	0.9513
173	XYP	0.9506
174	OXE	0.9506
175	OXM	0.9503
176	2EZ	0.9500
177	39J	0.9499
178	HHQ	0.9497
179	4DX	0.9487
180	ABA	0.9484
181	PYR	0.9456
182	BU4	0.9455
183	1AC	0.9443
184	OXD	0.9440
185	ALO	0.9437
186	JZ3	0.9434
187	FPY	0.9431
188	VAL	0.9431
189	URF	0.9429
190	GVH	0.9428
191	C5J	0.9428
192	MAK	0.9420
193	MRY	0.9419
194	FW5	0.9417
195	3MC	0.9415
196	3OH	0.9413
197	HGY	0.9412
198	R8A	0.9411
199	YHO	0.9410
200	4JP	0.9405
201	TDR	0.9400
202	YAN	0.9400
203	1MC	0.9396
204	LAC	0.9395
205	1PT	0.9393
206	286	0.9388
207	IND	0.9383
208	RSF	0.9382
209	1AB	0.9380
210	R1X	0.9380
211	R2B	0.9380
212	BZI	0.9380
213	275	0.9377
214	EDG	0.9376
215	MPI	0.9376
216	PYG	0.9374
217	WBU	0.9373
218	DAB	0.9373
219	0R1	0.9372
220	FFP	0.9371
221	PYD	0.9371
222	ICP	0.9371
223	MLM	0.9370
224	NK	0.9368
225	DEN	0.9368
226	3FA	0.9368
227	MCT	0.9367
228	BZF	0.9367
229	0CT	0.9365
230	JZ1	0.9365
231	GMN	0.9363
232	ALA	0.9362
233	MBD	0.9361
234	A1U	0.9360
235	LZ1	0.9359
236	2AC	0.9353
237	KIV	0.9352
238	4HO	0.9349
239	TM4	0.9346
240	IDM	0.9341
241	2C9	0.9338
242	1XX	0.9336
243	C2N	0.9335
244	6MH	0.9334
245	4CL	0.9333
246	MWM	0.9333
247	4ZE	0.9331
248	FLM	0.9329
249	IMR	0.9328
250	GXV	0.9323
251	DAL	0.9322
252	XYD	0.9319
253	2OP	0.9317
254	3CE	0.9315
255	4JJ	0.9313
256	DCY	0.9310
257	2MY	0.9309
258	BR9	0.9309
259	3GR	0.9307
260	AKB	0.9306
261	0R0	0.9305
262	JZ2	0.9303
263	PYM	0.9302
264	DUB	0.9300
265	2MP	0.9300
266	34A	0.9290
267	ALQ	0.9288
268	NIS	0.9286
269	XBZ	0.9285
270	23W	0.9284
271	27Y	0.9283
272	TH0	0.9277
273	PRO	0.9275
274	AOA	0.9275
275	DTL	0.9272
276	HT4	0.9270
277	3MH	0.9269
278	JZ9	0.9268
279	LER	0.9267
280	LXC	0.9267
281	2YU	0.9266
282	0TR	0.9260
283	OHG	0.9260
284	43M	0.9259
285	MWJ	0.9258
286	5UC	0.9256
287	2CM	0.9251
288	OXQ	0.9246
289	MEU	0.9246
290	1DU	0.9243
291	BAL	0.9243
292	NEQ	0.9243
293	BUO	0.9240
294	5Y9	0.9240
295	MZG	0.9239
296	FOA	0.9239
297	4JO	0.9239
298	SAR	0.9237
299	2DR	0.9235
300	PYC	0.9230
301	5JC	0.9229
302	AX2	0.9229
303	2HA	0.9226
304	LDU	0.9226
305	WDL	0.9220
306	TFB	0.9218
307	5MH	0.9217
308	BP9	0.9217
309	HBS	0.9217
310	3AY	0.9216
311	NCM	0.9216
312	NAK	0.9212
313	JBN	0.9210
314	5ZE	0.9208
315	IUR	0.9202
316	64K	0.9200
317	TM7	0.9199
318	JZ7	0.9198
319	9X7	0.9194
320	MMU	0.9193
321	P2D	0.9193
322	2ZX	0.9188
323	GBD	0.9183
324	13X	0.9183
325	BUA	0.9181
326	2PC	0.9178
327	BEZ	0.9178
328	IT2	0.9177
329	5AN	0.9174
330	6UA	0.9173
331	BEN	0.9169
332	SGL	0.9169
333	6PC	0.9165
334	GAG	0.9164
335	3HL	0.9164
336	HY3	0.9163
337	QOS	0.9162
338	5AC	0.9158
339	9YL	0.9152
340	SMV	0.9150
341	C2A	0.9147
342	47J	0.9146
343	NCA	0.9146
344	Y8I	0.9145
345	94N	0.9145
346	NBZ	0.9141
347	VGL	0.9140
348	PZA	0.9140
349	ARA	0.9140
350	TLD	0.9138
351	RIB	0.9133
352	7CZ	0.9131
353	YCP	0.9131
354	ERH	0.9130
355	TZC	0.9129
356	OXZ	0.9126
357	HDA	0.9125
358	0MK	0.9125
359	MLT	0.9124
360	265	0.9120
361	HBA	0.9118
362	PRS	0.9116
363	NIO	0.9116
364	HSE	0.9110
365	DPR	0.9109
366	FBA	0.9108
367	AHR	0.9103
368	OAA	0.9103
369	ARB	0.9103
370	273	0.9101
371	BAM	0.9098
372	IQ0	0.9097
373	QSC	0.9097
374	SS2	0.9095
375	TP5	0.9095
376	FAH	0.9095
377	JAB	0.9094
378	BR8	0.9093
379	2HE	0.9093
380	BMD	0.9089
381	AZF	0.9087
382	JZ5	0.9084
383	GOA	0.9084
384	M58	0.9081
385	UNU	0.9079
386	IFM	0.9078
387	AAE	0.9076
388	NTN	0.9075
389	SS1	0.9075
390	69O	0.9073
391	9TY	0.9073
392	RIP	0.9071
393	4JL	0.9070
394	C21	0.9069
395	LMR	0.9066
396	51F	0.9065
397	MAE	0.9060
398	MRZ	0.9058
399	FUB	0.9057
400	4VP	0.9053
401	192	0.9050
402	C2B	0.9047
403	T2C	0.9047
404	FJO	0.9046
405	ADE	0.9043
406	AGK	0.9040
407	BUQ	0.9035
408	HPA	0.9027
409	JIF	0.9027
410	DFU	0.9027
411	SSN	0.9026
412	BAE	0.9025
413	IVA	0.9025
414	9DA	0.9022
415	MZW	0.9022
416	6MP	0.9018
417	SIN	0.9017
418	DFB	0.9017
419	4JM	0.9017
420	RUU	0.9016
421	60P	0.9013
422	PPI	0.9012
423	3HR	0.9011
424	NVA	0.9011
425	AC0	0.9010
426	NIE	0.9008
427	YTB	0.9008
428	FLA	0.9008
429	ABE	0.9007
430	9HX	0.9004
431	PBC	0.9004
432	PHB	0.9002
433	23A	0.9002
434	HSM	0.8996
435	7HP	0.8993
436	GLV	0.8991
437	Z6J	0.8988
438	PAE	0.8986
439	ASN	0.8986
440	O7U	0.8984
441	TF4	0.8984
442	CRN	0.8984
443	PCA	0.8984
444	AKR	0.8983
445	GLY	0.8983
446	TCZ	0.8982
447	D2P	0.8982
448	HCS	0.8981
449	10L	0.8981
450	DTU	0.8973
451	J3K	0.8972
452	H8N	0.8970
453	CHT	0.8970
454	PM6	0.8969
455	RSO	0.8969
456	CSS	0.8960
457	F81	0.8957
458	ES4	0.8957
459	EGD	0.8956
460	4XR	0.8950
461	CP	0.8946
462	BP1	0.8946
463	7WA	0.8946
464	F50	0.8943
465	FUF	0.8940
466	HVB	0.8936
467	FUC	0.8934
468	R3W	0.8933
469	HAE	0.8932
470	MTG	0.8930
471	CEE	0.8929
472	M2H	0.8926
473	3CL	0.8924
474	ICN	0.8923
475	GIF	0.8922
476	NHY	0.8919
477	FUL	0.8919
478	PEL	0.8911
479	BTE	0.8910
480	AGU	0.8909
481	PEA	0.8909
482	KOJ	0.8903
483	CIZ	0.8902
484	ODV	0.8901
485	ITN	0.8898
486	BNS	0.8895
487	MGX	0.8891
488	F3V	0.8890
489	270	0.8889
490	IMD	0.8889
491	7MH	0.8887
492	HUH	0.8884
493	FAN	0.8884
494	TAU	0.8882
495	NMU	0.8881
496	271	0.8880
497	2A1	0.8879
498	SEJ	0.8878
499	P92	0.8877
500	2MI	0.8873
501	PZO	0.8872
502	FP1	0.8872
503	UY7	0.8872
504	AX7	0.8869
505	260	0.8869
506	3XX	0.8866
507	61G	0.8864
508	1WD	0.8862
509	TRI	0.8862
510	2XX	0.8861
511	HYP	0.8861
512	SAL	0.8860
513	HMH	0.8858
514	JBE	0.8856
515	HY1	0.8852
516	PAV	0.8849
517	JFD	0.8848
518	FCA	0.8848
519	HZP	0.8847
520	BZX	0.8847
521	UYA	0.8845
522	PBE	0.8841
523	SLP	0.8840
524	NSP	0.8839
525	T6C	0.8836
526	BE2	0.8835
527	KYD	0.8835
528	261	0.8829
529	6AI	0.8828
530	F05	0.8827
531	H76	0.8827
532	9A4	0.8827
533	6HQ	0.8820
534	32O	0.8819
535	IP0	0.8818
536	24B	0.8818
537	1LN	0.8816
538	3U4	0.8813
539	TSZ	0.8808
540	ZZT	0.8807
541	VNJ	0.8805
542	NMJ	0.8802
543	ATO	0.8799
544	HLT	0.8799
545	CXF	0.8798
546	4SV	0.8798
547	3Z7	0.8794
548	ITU	0.8790
549	14J	0.8785
550	QUZ	0.8784
551	HLR	0.8782
552	BTL	0.8781
553	ES6	0.8780
554	8NY	0.8779
555	TAY	0.8779
556	9EW	0.8777
557	POA	0.8777
558	HMU	0.8769
559	FCN	0.8769
560	3SK	0.8769
561	H4N	0.8768
562	40E	0.8766
563	XM0	0.8761
564	SVN	0.8758
565	PPF	0.8758
566	PXO	0.8755
567	SWD	0.8754
568	XPO	0.8753
569	GLC	0.8748
570	NPY	0.8747
571	2A7	0.8746
572	FK1	0.8744
573	BSX	0.8742
574	ILE	0.8740
575	5H1	0.8740
576	ZZ3	0.8738
577	TBP	0.8737
578	L3Q	0.8735
579	JKE	0.8729
580	HV2	0.8728
581	ES9	0.8727
582	S76	0.8724
583	5MI	0.8723
584	2K4	0.8722
585	FYU	0.8721
586	URP	0.8719
587	14O	0.8718
588	11S	0.8718
589	F60	0.8716
590	5MB	0.8716
591	0RW	0.8715
592	IHG	0.8715
593	2CK	0.8712
594	JZ4	0.8711
595	BRP	0.8711
596	HX3	0.8706
597	150	0.8706
598	PUT	0.8705
599	1BP	0.8704
600	1DW	0.8704
601	4ZC	0.8703
602	BXA	0.8700
603	1WG	0.8699
604	6M4	0.8691
605	TAR	0.8681
606	1DQ	0.8680
607	DCD	0.8679
608	G2F	0.8677
609	8GC	0.8677
610	ABV	0.8674
611	NPO	0.8673
612	ALF	0.8670
613	2LP	0.8668
614	4CS	0.8664
615	7WV	0.8662
616	45C	0.8660
617	RM4	0.8657
618	2CQ	0.8655
619	PAF	0.8655
620	TH7	0.8646
621	ETM	0.8645
622	AUD	0.8642
623	JAE	0.8637
624	TB6	0.8635
625	GOO	0.8629
626	URQ	0.8623
627	F4Z	0.8620
628	3NT	0.8617
629	NOJ	0.8615
630	PTO	0.8614
631	TC7	0.8613
632	7WG	0.8613
633	5HN	0.8607
634	8H8	0.8603
635	RNS	0.8597
636	UGC	0.8590
637	TCV	0.8589
638	WCE	0.8586
639	Z82	0.8578
640	35C	0.8577
641	MSF	0.8573
642	3AB	0.8570
643	FQI	0.8567
644	53C	0.8567
645	GAB	0.8566
646	3HB	0.8559
647	HIO	0.8550
648	OVV	0.8549
649	6M9	0.8543

Ligand no: 2; Ligand: NIO; Similar ligands found: 1243

No:	Ligand	Similarity coefficient
1	BEN	1.0000
2	NCA	1.0000
3	BAM	1.0000
4	BE7	1.0000
5	UNU	1.0000
6	YCP	1.0000
7	PBC	1.0000
8	JZ7	1.0000
9	BNS	1.0000
10	NTN	1.0000
11	6PC	1.0000
12	QSC	1.0000
13	SS1	1.0000
14	PZA	1.0000
15	VGL	1.0000
16	NBZ	1.0000
17	AC0	1.0000
18	GLA	1.0000
19	SS2	0.9992
20	M58	0.9968
21	FOA	0.9931
22	IT2	0.9903
23	TZC	0.9895
24	PYC	0.9892
25	AMC	0.9888
26	TP5	0.9888
27	PRO	0.9879
28	C21	0.9872
29	DEN	0.9863
30	IDM	0.9861
31	2PC	0.9858
32	PHB	0.9845
33	IND	0.9842
34	DPR	0.9835
35	273	0.9828
36	JBN	0.9826
37	RSO	0.9823
38	265	0.9823
39	LZ1	0.9821
40	NPO	0.9819
41	MRZ	0.9807
42	0R1	0.9801
43	ABN	0.9798
44	HBX	0.9796
45	HBD	0.9796
46	SYN	0.9795
47	GAG	0.9794
48	4JP	0.9791
49	CFI	0.9788
50	SMV	0.9788
51	HY1	0.9781
52	ISZ	0.9781
53	GVH	0.9780
54	MPI	0.9779
55	BHO	0.9777
56	BZF	0.9776
57	GBD	0.9776
58	1Y6	0.9767
59	JZ5	0.9765
60	PRS	0.9762
61	BZI	0.9760
62	5AC	0.9759
63	FEH	0.9756
64	OAA	0.9753
65	PY7	0.9752
66	4SV	0.9751
67	8GC	0.9750
68	2CK	0.9748
69	OXQ	0.9748
70	PAB	0.9748
71	60P	0.9747
72	SAL	0.9747
73	282	0.9746
74	4CS	0.9746
75	JZ9	0.9738
76	FAN	0.9738
77	BE2	0.9735
78	VNJ	0.9735
79	QUZ	0.9732
80	GAB	0.9732
81	54D	0.9730
82	JKE	0.9729
83	0CT	0.9729
84	NPY	0.9724
85	PYF	0.9722
86	3U4	0.9722
87	ES6	0.9719
88	JAB	0.9715
89	NBE	0.9714
90	NMJ	0.9713
91	7WV	0.9711
92	I1E	0.9710
93	3AB	0.9710
94	3NT	0.9706
95	PBZ	0.9694
96	3SK	0.9693
97	P72	0.9692
98	3HB	0.9691
99	1MR	0.9690
100	F05	0.9689
101	Z82	0.9685
102	1PT	0.9683
103	HYP	0.9682
104	7A8	0.9681
105	14J	0.9681
106	UYA	0.9680
107	4MA	0.9680
108	1DJ	0.9677
109	MNN	0.9675
110	SW7	0.9672
111	FPI	0.9672
112	MLT	0.9671
113	826	0.9670
114	1WD	0.9668
115	53C	0.9666
116	6M9	0.9662
117	FBM	0.9660
118	AC6	0.9659
119	9EW	0.9659
120	TPA	0.9659
121	HZP	0.9658
122	1DU	0.9658
123	8EZ	0.9655
124	WCE	0.9655
125	3OC	0.9654
126	JBE	0.9653
127	UY7	0.9652
128	6M4	0.9650
129	HIO	0.9648
130	174	0.9646
131	9CL	0.9645
132	OVV	0.9644
133	NIZ	0.9643
134	AX7	0.9643
135	UGC	0.9639
136	HY3	0.9634
137	BRT	0.9634
138	MXN	0.9631
139	HLR	0.9630
140	270	0.9630
141	PCA	0.9624
142	0RW	0.9622
143	SVN	0.9621
144	J1Z	0.9618
145	OK7	0.9615
146	FB2	0.9613
147	14O	0.9609
148	3BZ	0.9607
149	BZX	0.9594
150	DYA	0.9594
151	5H1	0.9591
152	PMB	0.9589
153	ABV	0.9589
154	F60	0.9582
155	FBJ	0.9582
156	XM0	0.9582
157	2K4	0.9581
158	2MI	0.9581
159	FQI	0.9578
160	HSM	0.9572
161	F9P	0.9570
162	ASP	0.9567
163	SRT	0.9563
164	TFB	0.9558
165	L3Q	0.9549
166	5MI	0.9549
167	T2C	0.9544
168	5MB	0.9542
169	HBA	0.9540
170	6AI	0.9540
171	XBT	0.9537
172	M6W	0.9532
173	LMR	0.9525
174	P92	0.9520
175	PYJ	0.9520
176	TZL	0.9518
177	COI	0.9518
178	ZBT	0.9518
179	DBH	0.9513
180	2RH	0.9510
181	RSF	0.9508
182	7WG	0.9505
183	ASN	0.9504
184	3M0	0.9501
185	PHU	0.9500
186	P9P	0.9499
187	HHA	0.9498
188	FE DB1	0.9497
189	CXF	0.9497
190	JBK	0.9493
191	4NC	0.9493
192	4VP	0.9492
193	PZI	0.9492
194	3ID	0.9490
195	3F0	0.9488
196	M4T	0.9486
197	1DQ	0.9483
198	3HA	0.9479
199	HPA	0.9479
200	THE	0.9475
201	TZE	0.9464
202	NK	0.9463
203	JAE	0.9461
204	11S	0.9461
205	271	0.9459
206	FBA	0.9457
207	GYE	0.9456
208	APY	0.9456
209	PEL	0.9452
210	B24	0.9452
211	DMD	0.9446
212	ES9	0.9445
213	PEA	0.9442
214	ISN	0.9440
215	10L	0.9437
216	7N0	0.9437
217	TH7	0.9436
218	SHA	0.9435
219	1P3	0.9433
220	INO	0.9433
221	H4N	0.9431
222	5NU	0.9430
223	DHB	0.9429
224	K34	0.9429
225	TEO	0.9429
226	40E	0.9427
227	QY9	0.9426
228	5WV	0.9423
229	FK1	0.9420
230	ADE	0.9420
231	XX2	0.9419
232	NNO	0.9418
233	BVC	0.9417
234	0TR	0.9414
235	ES7	0.9413
236	GJZ	0.9413
237	PAC	0.9413
238	SPA	0.9413
239	COU	0.9413
240	XYP	0.9410
241	9TW	0.9410
242	HSE	0.9409
243	KKN	0.9409
244	R8A	0.9408
245	AHR	0.9407
246	PRI	0.9406
247	3HM	0.9403
248	HVQ	0.9403
249	FCR	0.9401
250	NXA	0.9401
251	MYJ	0.9400
252	1WG	0.9400
253	2HO	0.9400
254	JB5	0.9397
255	N5J	0.9397
256	4JL	0.9396
257	1DV	0.9394
258	TLA	0.9392
259	JLZ	0.9392
260	CHB	0.9392
261	5CU	0.9391
262	CEE	0.9391
263	URF	0.9390
264	FP1	0.9389
265	FHB	0.9389
266	9DA	0.9388
267	93K	0.9388
268	8NY	0.9387
269	7HP	0.9387
270	XYL	0.9385
271	RB5	0.9385
272	2LP	0.9385
273	RIB	0.9383
274	1LQ	0.9382
275	69O	0.9382
276	4A3	0.9382
277	4M0	0.9382
278	BP9	0.9380
279	WOT	0.9380
280	NVI	0.9378
281	TH0	0.9376
282	67N	0.9376
283	SIN	0.9374
284	GUA	0.9372
285	J9T	0.9371
286	24W	0.9369
287	4P5	0.9369
288	JZ3	0.9367
289	5SG	0.9367
290	FA0	0.9367
291	9HX	0.9365
292	6MP	0.9365
293	03V	0.9365
294	ALO	0.9364
295	BHA	0.9364
296	5IQ	0.9363
297	1SQ	0.9363
298	51R	0.9363
299	4FS	0.9362
300	IMR	0.9360
301	ES1	0.9359
302	7WA	0.9358
303	LDU	0.9357
304	ES5	0.9356
305	TSU	0.9356
306	150	0.9355
307	QSB	0.9354
308	PM6	0.9351
309	FPY	0.9350
310	5Q0	0.9350
311	BVG	0.9350
312	51F	0.9350
313	KYD	0.9349
314	2AQ	0.9349
315	JPZ	0.9347
316	6M1	0.9347
317	M1A	0.9347
318	MAE	0.9347
319	FBV	0.9346
320	PG3	0.9345
321	45L	0.9344
322	4YS	0.9343
323	7W4	0.9341
324	1MC	0.9340
325	R1X	0.9338
326	R2B	0.9338
327	2CQ	0.9338
328	SJ5	0.9337
329	HX2	0.9337
330	LXC	0.9335
331	MZ0	0.9334
332	RMN	0.9332
333	MZW	0.9332
334	23A	0.9331
335	HQY	0.9331
336	4JM	0.9331
337	1DW	0.9331
338	XCZ	0.9330
339	KIV	0.9329
340	PLQ	0.9328
341	HDH	0.9328
342	1NP	0.9328
343	SD4	0.9327
344	DOB	0.9326
345	268	0.9326
346	6F0	0.9325
347	URQ	0.9325
348	SMN	0.9324
349	WBU	0.9323
350	98J	0.9323
351	1P7	0.9322
352	ORO	0.9322
353	IHB	0.9321
354	OCH	0.9320
355	OXC	0.9320
356	MAK	0.9320
357	H42	0.9320
358	FUM	0.9320
359	OXZ	0.9319
360	1AB	0.9319
361	OTR	0.9318
362	HCS	0.9317
363	3DO	0.9316
364	KOJ	0.9315
365	MCT	0.9315
366	3SL	0.9314
367	ITN	0.9314
368	4JT	0.9312
369	4JU	0.9312
370	GRE	0.9312
371	7MU	0.9312
372	280	0.9311
373	PKU	0.9310
374	8OZ	0.9309
375	2CO	0.9309
376	2MH	0.9309
377	HMH	0.9308
378	173	0.9308
379	IFM	0.9305
380	MRY	0.9304
381	Q88	0.9304
382	XQ0	0.9303
383	BP1	0.9302
384	JYD	0.9302
385	IP0	0.9301
386	DOR	0.9299
387	717	0.9298
388	NMG	0.9297
389	3PF	0.9297
390	PBE	0.9295
391	4ZE	0.9295
392	DS0	0.9294
393	DAS	0.9294
394	HH8	0.9293
395	9RW	0.9291
396	EDG	0.9291
397	TDR	0.9291
398	HSO	0.9288
399	5RG	0.9288
400	9TZ	0.9287
401	45C	0.9286
402	286	0.9285
403	ES4	0.9284
404	GTQ	0.9283
405	HQE	0.9283
406	DAB	0.9282
407	2AC	0.9282
408	FB1	0.9282
409	GRO	0.9281
410	4XH	0.9281
411	DA1	0.9280
412	MWM	0.9279
413	7CZ	0.9279
414	9X7	0.9279
415	6CS	0.9277
416	54G	0.9276
417	AW5	0.9275
418	4HO	0.9274
419	SAN	0.9274
420	QXW	0.9274
421	AAS	0.9271
422	275	0.9269
423	GLU	0.9269
424	ES0	0.9268
425	RHU	0.9268
426	OHG	0.9268
427	MLA	0.9266
428	0R0	0.9265
429	4XR	0.9265
430	JBH	0.9265
431	FBW	0.9264
432	BTE	0.9263
433	FPN	0.9263
434	URP	0.9262
435	LG4	0.9262
436	069	0.9262
437	XYD	0.9260
438	34D	0.9259
439	5B1	0.9258
440	ADZ	0.9258
441	FBS	0.9254
442	URS	0.9253
443	AL0	0.9252
444	QWN	0.9250
445	ET2	0.9250
446	BSX	0.9250
447	IPB	0.9250
448	H8N	0.9250
449	2AL	0.9250
450	1LN	0.9249
451	1SA	0.9249
452	D1X	0.9249
453	IQ0	0.9247
454	4J8	0.9247
455	IHG	0.9246
456	ILE	0.9244
457	2ZV	0.9243
458	278	0.9242
459	AZF	0.9240
460	XBZ	0.9240
461	ASC	0.9239
462	2MP	0.9238
463	AMS	0.9238
464	7B4	0.9236
465	VAL	0.9235
466	5M0	0.9235
467	34A	0.9234
468	O72	0.9234
469	CWM	0.9234
470	DE5	0.9234
471	4CL	0.9233
472	IZC	0.9233
473	5QY	0.9231
474	NOJ	0.9231
475	AZA	0.9227
476	A1U	0.9225
477	GIF	0.9224
478	5MK	0.9223
479	SNE	0.9222
480	25R	0.9219
481	PCR	0.9218
482	JZ2	0.9218
483	261	0.9217
484	ICP	0.9216
485	PYD	0.9216
486	AC5	0.9216
487	DTL	0.9215
488	MLI	0.9215
489	G3E	0.9212
490	A09	0.9211
491	1LM	0.9209
492	SPV	0.9208
493	ICF	0.9206
494	EQT	0.9203
495	9YL	0.9203
496	PIY	0.9203
497	PPR	0.9201
498	2D0	0.9201
499	4JJ	0.9201
500	DHK	0.9201
501	M3H	0.9200
502	V1L	0.9198
503	LT2	0.9198
504	AHB	0.9198
505	AGK	0.9197
506	CYH	0.9196
507	CXL	0.9196
508	DHS	0.9196
509	PRY	0.9196
510	HAI	0.9194
511	2DR	0.9193
512	36R	0.9193
513	CLW	0.9193
514	EKZ	0.9193
515	R8V	0.9193
516	C2B	0.9192
517	D48	0.9190
518	25W	0.9189
519	RM1	0.9189
520	27Y	0.9189
521	5OB	0.9189
522	SX1	0.9189
523	FYU	0.9188
524	CFP	0.9188
525	ECE	0.9186
526	258	0.9186
527	RBL	0.9186
528	I3A	0.9186
529	JZ4	0.9184
530	PAF	0.9183
531	C2A	0.9183
532	5UC	0.9182
533	HIS	0.9182
534	GZ3	0.9181
535	F4Z	0.9181
536	8K2	0.9180
537	LCN	0.9178
538	MZG	0.9178
539	Z6J	0.9177
540	PXY	0.9176
541	VGD	0.9176
542	DMG	0.9176
543	TAR	0.9175
544	NYL	0.9174
545	4ZA	0.9173
546	2IM	0.9172
547	ES2	0.9172
548	DCL	0.9172
549	1P8	0.9169
550	GXE	0.9168
551	PEQ	0.9168
552	0V5	0.9168
553	J9Q	0.9167
554	SE2	0.9166
555	EHM	0.9164
556	2EZ	0.9164
557	HH5	0.9164
558	GUN	0.9164
559	PEP	0.9163
560	K2T	0.9162
561	3ZQ	0.9161
562	HMU	0.9159
563	CRN	0.9159
564	JZ1	0.9158
565	5VM	0.9158
566	XUL	0.9158
567	AEF	0.9158
568	40O	0.9155
569	HT4	0.9155
570	5MH	0.9154
571	4WL	0.9154
572	3PY	0.9154
573	IFP	0.9152
574	BZ3	0.9152
575	TC7	0.9151
576	HX3	0.9150
577	GDE	0.9149
578	DHR	0.9147
579	C5J	0.9146
580	J5I	0.9145
581	G3P	0.9142
582	G3H	0.9142
583	LG3	0.9142
584	43M	0.9141
585	L99	0.9141
586	8CL	0.9139
587	URA	0.9139
588	FBB	0.9138
589	4FA	0.9137
590	MLM	0.9134
591	A2F	0.9132
592	1XN	0.9132
593	MBN	0.9131
594	6AP	0.9131
595	K5W	0.9131
596	JFJ	0.9131
597	THR	0.9130
598	2YU	0.9128
599	TIU	0.9127
600	CN0	0.9126
601	CIZ	0.9126
602	H3M	0.9124
603	N4B	0.9123
604	XLS	0.9122
605	4CH	0.9122
606	TM7	0.9121
607	5JC	0.9120
608	SKM	0.9119
609	G2F	0.9117
610	IPH	0.9116
611	93B	0.9116
612	290	0.9116
613	OVM	0.9116
614	FLA	0.9115
615	TTL	0.9115
616	9TY	0.9113
617	SVD	0.9113
618	ABE	0.9113
619	RCO	0.9111
620	A2Q	0.9111
621	DFB	0.9110
622	3XX	0.9110
623	L60	0.9109
624	AZG	0.9108
625	3AP	0.9107
626	DX4	0.9107
627	9DG	0.9107
628	HRZ	0.9106
629	MUC	0.9106
630	OVP	0.9106
631	CWS	0.9104
632	4AP	0.9104
633	2AP	0.9104
634	AKG	0.9104
635	JA8	0.9103
636	S76	0.9103
637	0CU	0.9103
638	YRL	0.9101
639	HHN	0.9100
640	ZXD	0.9100
641	P3K	0.9099
642	BR9	0.9099
643	T9G	0.9099
644	4AA	0.9098
645	FCA	0.9096
646	4NM	0.9096
647	MWJ	0.9096
648	LNR	0.9096
649	0P6	0.9095
650	PIM	0.9095
651	2PG	0.9095
652	269	0.9094
653	2A7	0.9093
654	BEW	0.9092
655	A13	0.9092
656	ICC	0.9091
657	3FH	0.9090
658	IOM	0.9089
659	BOA	0.9088
660	QMP	0.9087
661	BGC	0.9086
662	1M2	0.9084
663	AAE	0.9084
664	TTO	0.9083
665	A7W	0.9082
666	2TQ	0.9082
667	7HQ	0.9081
668	CAQ	0.9081
669	X0V	0.9081
670	24B	0.9079
671	SEP	0.9079
672	MR1	0.9078
673	KUF	0.9078
674	GZL	0.9077
675	CRS	0.9076
676	LER	0.9074
677	HVK	0.9074
678	FW5	0.9074
679	IFL	0.9074
680	8GF	0.9074
681	7W1	0.9073
682	4JN	0.9072
683	5QX	0.9072
684	P2D	0.9072
685	LDP	0.9072
686	264	0.9072
687	8H8	0.9071
688	259	0.9071
689	KPL	0.9070
690	NOY	0.9070
691	BML	0.9070
692	284	0.9069
693	SWD	0.9068
694	3HL	0.9066
695	4NG	0.9066
696	OKG	0.9066
697	QSH	0.9066
698	3CH	0.9065
699	CMS	0.9064
700	DGJ	0.9063
701	LG5	0.9063
702	4HS	0.9062
703	XYS	0.9062
704	LGA	0.9062
705	8CM	0.9061
706	141	0.9061
707	42A	0.9061
708	LEU	0.9061
709	G4D	0.9060
710	SYV	0.9060
711	97T	0.9060
712	EA1	0.9059
713	ARB	0.9058
714	XAN	0.9058
715	S2G	0.9058
716	IDH	0.9057
717	RUU	0.9057
718	XIY	0.9057
719	GLY GLY	0.9057
720	RBJ	0.9056
721	HPY	0.9056
722	ZZT	0.9055
723	IGA	0.9055
724	23W	0.9054
725	1XM	0.9054
726	CYT	0.9054
727	4SX	0.9053
728	OXE	0.9052
729	ASO	0.9051
730	E5X	0.9051
731	NDH	0.9050
732	CTL	0.9050
733	FUL	0.9047
734	5XC	0.9047
735	GLC	0.9047
736	2KT	0.9047
737	XSP	0.9046
738	QOS	0.9045
739	FUB	0.9044
740	DUC	0.9044
741	PBA	0.9043
742	PXL	0.9042
743	G6D	0.9042
744	M6N	0.9040
745	DHQ	0.9040
746	12Q	0.9040
747	RNS	0.9039
748	YH7	0.9038
749	I4B	0.9038
750	F81	0.9038
751	2HG	0.9037
752	IUR	0.9036
753	SKA	0.9036
754	NVA	0.9036
755	DIN	0.9035
756	BVF	0.9035
757	Q24	0.9034
758	MRW	0.9032
759	CSS	0.9032
760	LYL	0.9030
761	3MB	0.9030
762	XRG	0.9030
763	RIP	0.9027
764	3PG	0.9026
765	26D	0.9026
766	PRA	0.9025
767	AZ8	0.9024
768	2AS	0.9023
769	JIF	0.9023
770	YHO	0.9023
771	NSP	0.9023
772	4JO	0.9021
773	4MV	0.9021
774	9PO	0.9018
775	2HQ	0.9017
776	3Z8	0.9014
777	2BG	0.9014
778	DFU	0.9013
779	HQT	0.9013
780	FA1	0.9012
781	PIH	0.9011
782	ANN	0.9011
783	PNZ	0.9011
784	6GU	0.9010
785	E7Z	0.9010
786	ZZ3	0.9010
787	IVA	0.9009
788	GOJ	0.9007
789	HGW	0.9007
790	5GU	0.9004
791	2CH	0.9004
792	AMH	0.9003
793	64K	0.9003
794	H95	0.9003
795	ONL	0.9003
796	FOT	0.9002
797	IF7	0.9001
798	GIO	0.9000
799	86J	0.9000
800	449	0.8999
801	UNC	0.8999
802	0W8	0.8998
803	HJP	0.8997
804	FGZ	0.8997
805	DMJ	0.8996
806	32X	0.8996
807	4FH	0.8995
808	VNL	0.8992
809	2FY	0.8990
810	6RQ	0.8990
811	K7M	0.8989
812	DGY	0.8987
813	MS9	0.8987
814	NEQ	0.8987
815	FBT	0.8985
816	SWA	0.8985
817	MNM	0.8984
818	1GP	0.8984
819	MEW	0.8983
820	3AL	0.8983
821	92Z	0.8980
822	TLD	0.8979
823	SSN	0.8978
824	FUC	0.8977
825	3MC	0.8976
826	4YO	0.8976
827	PE0	0.8975
828	HIU	0.8975
829	KG7	0.8975
830	2FT	0.8973
831	8WO	0.8972
832	R9S	0.8971
833	C2U	0.8971
834	PGA	0.8970
835	LZM	0.8969
836	0MK	0.8969
837	23J	0.8968
838	IV2	0.8967
839	4P0	0.8966
840	47J	0.8966
841	TYL	0.8964
842	RNT	0.8963
843	BDP	0.8963
844	GLL	0.8962
845	92K	0.8962
846	HC4	0.8961
847	DBX	0.8960
848	3Z7	0.8960
849	HDA	0.8960
850	HPS	0.8958
851	M5K	0.8957
852	1AN	0.8956
853	4BZ	0.8955
854	SER	0.8954
855	GLY ALA	0.8954
856	HGQ	0.8954
857	MET	0.8953
858	G3F	0.8953
859	SC2	0.8953
860	ODO	0.8953
861	FP2	0.8951
862	N2Z	0.8951
863	KT7	0.8950
864	263	0.8950
865	OW4	0.8949
866	PYG	0.8948
867	IOL	0.8947
868	G2H	0.8947
869	5RN	0.8946
870	AQO	0.8945
871	OHP	0.8945
872	PAH	0.8944
873	S0H	0.8944
874	8ZE	0.8944
875	8LG	0.8943
876	FDB	0.8943
877	URC	0.8943
878	CEJ	0.8942
879	0HO	0.8942
880	MT0	0.8941
881	BNF	0.8941
882	CIG	0.8940
883	0JD	0.8940
884	BCP	0.8940
885	ORN	0.8939
886	HEW	0.8939
887	F5B	0.8937
888	9MG	0.8937
889	G5V	0.8936
890	RAM	0.8935
891	MQN	0.8935
892	4Z4	0.8933
893	82I	0.8933
894	KTA	0.8932
895	25T	0.8932
896	KBB	0.8932
897	MZB	0.8931
898	3QM	0.8931
899	JZ0	0.8930
900	2AF	0.8930
901	3IT	0.8929
902	IJZ	0.8928
903	2EC	0.8928
904	PGH	0.8928
905	SYG	0.8928
906	8S0	0.8927
907	XXR	0.8927
908	X1S	0.8926
909	3NY	0.8926
910	HHH	0.8923
911	HQJ	0.8923
912	4H2	0.8921
913	L89	0.8921
914	HYN	0.8921
915	DIU	0.8920
916	Q6T	0.8920
917	13P	0.8920
918	ABI	0.8919
919	ABU	0.8918
920	MED	0.8917
921	4JQ	0.8916
922	B57	0.8916
923	PAE	0.8916
924	EXO	0.8914
925	EYK	0.8914
926	BPN	0.8914
927	285	0.8914
928	GLN	0.8913
929	MWP	0.8913
930	2ZM	0.8912
931	495	0.8911
932	KJH	0.8911
933	GAL	0.8909
934	LRH	0.8908
935	R8S	0.8908
936	FLM	0.8907
937	Y8I	0.8906
938	OGA	0.8905
939	0TU	0.8904
940	KJU	0.8904
941	LGC	0.8902
942	KMT	0.8900
943	F9Y	0.8899
944	24T	0.8899
945	3V4	0.8898
946	6NT	0.8898
947	HZQ	0.8896
948	XQG	0.8894
949	O7U	0.8894
950	YAN	0.8893
951	F0J	0.8891
952	LLQ	0.8888
953	4ZC	0.8888
954	3PP	0.8887
955	SN4	0.8887
956	52C	0.8887
957	32O	0.8885
958	7EX	0.8885
959	76X	0.8885
960	F31	0.8885
961	CP	0.8885
962	APG	0.8882
963	A29	0.8879
964	5JQ	0.8877
965	B85	0.8875
966	SOE	0.8875
967	4VY	0.8874
968	M3T	0.8874
969	4HC	0.8873
970	AJ2	0.8873
971	HTS	0.8872
972	93Q	0.8872
973	GP9	0.8872
974	0HN	0.8872
975	TMZ	0.8871
976	2H5	0.8871
977	LEA	0.8871
978	NCT	0.8871
979	PZM	0.8870
980	AKH	0.8868
981	MAN	0.8868
982	ADA	0.8867
983	RJY	0.8866
984	QWW	0.8865
985	JBQ	0.8860
986	ABA	0.8860
987	2A9	0.8860
988	EDR	0.8860
989	AZ9	0.8859
990	FBU	0.8859
991	42C	0.8857
992	DSN	0.8856
993	B55	0.8856
994	BTY	0.8855
995	IPU	0.8855
996	B3R	0.8854
997	GGL	0.8853
998	938	0.8852
999	7MH	0.8852
1000	3WA	0.8852
1001	IPZ	0.8851
1002	MSR	0.8848
1003	RAT	0.8847
1004	BCU	0.8846
1005	L5V	0.8846
1006	0OC	0.8845
1007	CYS	0.8844
1008	MPD	0.8843
1009	2F6	0.8841
1010	J9W	0.8840
1011	7NI	0.8840
1012	H76	0.8838
1013	75K	0.8838
1014	1DH	0.8837
1015	ARA	0.8837
1016	ALL	0.8837
1017	GCS	0.8836
1018	GTR	0.8835
1019	QX2	0.8835
1020	6X8	0.8835
1021	2FG	0.8834
1022	E60	0.8830
1023	8TX	0.8829
1024	FPK	0.8829
1025	4XX	0.8829
1026	C2N	0.8828
1027	M2H	0.8828
1028	3FA	0.8826
1029	FFP	0.8824
1030	GMN	0.8823
1031	BEA	0.8823
1032	QBK	0.8821
1033	KBG	0.8821
1034	4HM	0.8821
1035	TGX	0.8819
1036	GCU	0.8818
1037	XAZ	0.8818
1038	EUG	0.8818
1039	4M4	0.8818
1040	WOO	0.8817
1041	FK8	0.8817
1042	2HU	0.8817
1043	ADK	0.8816
1044	3MA	0.8816
1045	XIX	0.8816
1046	MO8	0.8815
1047	DBB	0.8815
1048	42J	0.8815
1049	ICO	0.8815
1050	DGL	0.8814
1051	MJ2	0.8812
1052	GVG	0.8807
1053	V55	0.8807
1054	DBJ	0.8806
1055	FUF	0.8805
1056	8WT	0.8805
1057	HLZ	0.8803
1058	CPZ	0.8801
1059	EV0	0.8800
1060	1GN	0.8798
1061	CTS	0.8798
1062	OPE	0.8796
1063	5NI	0.8795
1064	1F1	0.8793
1065	BZ2	0.8793
1066	DXX	0.8792
1067	MUA	0.8792
1068	3HP	0.8792
1069	MBD	0.8791
1070	6LW	0.8790
1071	ACH	0.8790
1072	JFD	0.8788
1073	4XV	0.8785
1074	KJY	0.8785
1075	M2K	0.8785
1076	1XX	0.8784
1077	AJV	0.8784
1078	PHE	0.8783
1079	6MH	0.8782
1080	F4E	0.8781
1081	AS3	0.8780
1082	YTB	0.8779
1083	2MY	0.8779
1084	HQD	0.8778
1085	6NI	0.8777
1086	GOO	0.8776
1087	2C9	0.8776
1088	HHQ	0.8776
1089	M1H	0.8775
1090	TMT	0.8775
1091	DTU	0.8771
1092	DRL	0.8771
1093	1SP	0.8771
1094	PA1	0.8770
1095	GAF	0.8769
1096	3A9	0.8769
1097	5JL	0.8768
1098	SAT	0.8768
1099	M1Q	0.8767
1100	DEE	0.8766
1101	M1E	0.8763
1102	7VS	0.8761
1103	B53	0.8761
1104	RUY	0.8761
1105	HXX	0.8761
1106	8IG	0.8759
1107	M0Q	0.8759
1108	X6X	0.8758
1109	JAW	0.8756
1110	4SD	0.8756
1111	QIC	0.8755
1112	6OT	0.8752
1113	6UA	0.8752
1114	BDF	0.8751
1115	6TZ	0.8751
1116	M0W	0.8745
1117	TZF	0.8744
1118	LSA	0.8743
1119	N2I	0.8742
1120	3CE	0.8742
1121	PMF	0.8742
1122	T6C	0.8741
1123	GXL	0.8740
1124	GXY	0.8735
1125	329	0.8735
1126	3RK	0.8735
1127	TM4	0.8734
1128	7VD	0.8734
1129	INS	0.8731
1130	WDL	0.8730
1131	3MH	0.8727
1132	5RO	0.8727
1133	3DM	0.8726
1134	TB6	0.8726
1135	39A	0.8725
1136	NK2	0.8722
1137	SNU	0.8720
1138	ODV	0.8720
1139	J9N	0.8717
1140	12M	0.8716
1141	15E	0.8715
1142	UFV	0.8712
1143	13X	0.8711
1144	TAG	0.8711
1145	GIV	0.8705
1146	R67	0.8705
1147	0N7	0.8705
1148	4HP	0.8703
1149	DUB	0.8702
1150	4XS	0.8701
1151	CXP	0.8700
1152	149	0.8697
1153	3R6	0.8694
1154	RM4	0.8694
1155	IWT	0.8694
1156	1SH	0.8692
1157	AX2	0.8691
1158	FDK	0.8691
1159	2CM	0.8691
1160	6ME	0.8690
1161	DQY	0.8688
1162	ESP	0.8687
1163	APZ	0.8685
1164	9FL	0.8685
1165	7VP	0.8683
1166	B62	0.8681
1167	DIE	0.8679
1168	5ZE	0.8678
1169	3AY	0.8677
1170	PRZ	0.8674
1171	5AN	0.8673
1172	ICB	0.8673
1173	5WX	0.8672
1174	JF6	0.8671
1175	9X6	0.8668
1176	BR8	0.8668
1177	Z5P	0.8668
1178	0BP	0.8668
1179	6FZ	0.8663
1180	R20	0.8660
1181	2AK	0.8658
1182	M45	0.8657
1183	XXG	0.8656
1184	JND	0.8656
1185	BMA	0.8655
1186	GOL	0.8655
1187	2ZX	0.8653
1188	MBG	0.8646
1189	Q02	0.8645
1190	OTW	0.8643
1191	TSS	0.8640
1192	260	0.8639
1193	36Y	0.8628
1194	DQU	0.8628
1195	XXP	0.8625
1196	FA3	0.8624
1197	HCI	0.8624
1198	2CL	0.8624
1199	LYS	0.8621
1200	4ME	0.8620
1201	FUD	0.8620
1202	OMD	0.8615
1203	6HQ	0.8614
1204	JDN	0.8613
1205	KDV	0.8612
1206	44V	0.8609
1207	N8Y	0.8607
1208	0FO	0.8604
1209	XHP	0.8602
1210	ISE	0.8601
1211	SME	0.8601
1212	NQ	0.8600
1213	192	0.8600
1214	KMH	0.8597
1215	N3W	0.8595
1216	F12	0.8593
1217	PPV	0.8592
1218	PEZ	0.8591
1219	EVA	0.8590
1220	4MU	0.8590
1221	MPV	0.8590
1222	VK3	0.8588
1223	9CA	0.8585
1224	EGD	0.8584
1225	0F9	0.8584
1226	BNL	0.8583
1227	1IT	0.8580
1228	TEP	0.8580
1229	1WC	0.8578
1230	TTY	0.8578
1231	SAR	0.8570
1232	1CB	0.8561
1233	37T	0.8557
1234	YSO	0.8552
1235	RXA	0.8549
1236	TBP	0.8548
1237	M4S	0.8548
1238	4MZ	0.8528
1239	FCN	0.8525
1240	DHY	0.8523
1241	PRF	0.8522
1242	1U6	0.8521
1243	KSW	0.8515

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

Pocket No.: 1; Query (leader) PDB : 4KQI; Ligand: RBZ; 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: 4kqi.bio1) has 45 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 2; Query (leader) PDB : 4KQI; Ligand: RBZ; 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: 4kqi.bio1) has 45 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 3; Query (leader) PDB : 4KQI; Ligand: NIO; 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: 4kqi.bio1) has 45 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 4; Query (leader) PDB : 4KQI; Ligand: NIO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.

This union binding pocket(no: 4) in the query (biounit: 4kqi.bio1) has 45 residues
No:	Leader PDB	Ligand	Sequence Similarity

APoc FAQ