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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
3IBD	2 Å	EC: 1.14.13.-	CRYSTAL STRUCTURE OF A CYTOCHROME P450 2B6 GENETIC VARIANT I WITH THE INHIBITOR 4-(4-CHLOROPHENYL)IMIDAZOLE	HOMO SAPIENS	P450 CYTOCHROME P450 2B6 MONOOXYGENASE OXIDOREDUCTASE MEPROTEIN CYP 2B6 ENDOPLASMIC RETICULUM HEME IRON MEMBRAMETAL-BINDING MICROSOME PHOSPHOPROTEIN OXIDOREDUCTASE- OXIDOREDUCTASE INHIBITOR COMPLEX
Ref.:	CRYSTAL STRUCTURE OF A CYTOCHROME P450 2B6 GENETIC IN COMPLEX WITH THE INHIBITOR 4-(4-CHLOROPHENYL)IMI 2.0-A RESOLUTION. MOL.PHARMACOL. V. 77 529 2010

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	Molecular Weight (Da)	Formula	SMILES
CM5	A:1001; A:1002;	Invalid; Invalid;	none; none;	submit data	494.573	C23 H42 O11	C1CCC...
CPZ	A:501;	Valid;	none;	submit data	178.618	C9 H7 Cl N2	c1cc(...
HEM	A:500;	Part of Protein;	none;	submit data	616.487	C34 H32 Fe N4 O4	Cc1c2...
SCN	A:1003; A:1004; A:1005; A:1006;	Invalid; Invalid; Invalid; Invalid;	none; none; none; none;	submit data	58.082	C N S	C(#N)...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
4RQL	2.1 Å	EC: 1.14.13.-	CRYSTAL STRUCTURE OF A HUMAN CYTOCHROME P450 2B6 (Y226H/K262 COMPLEX WITH A MONOTERPENE - SABINENE	HOMO SAPIENS	P450 CYTOCHROME P450 2B6 MONOOXYGENASE MEMBRANE PROTEIN ENDOPLASMIC RETICULUM HEME IRON METAL BINDING MICROSOMEOXIDOREDUCTASE
Ref.:	STRUCTURAL AND BIOPHYSICAL CHARACTERIZATION OF HUMA CYTOCHROMES P450 2B6 AND 2A6 BOUND TO VOLATILE HYDR ANALYSIS AND COMPARISON. MOL.PHARMACOL. V. 87 649 2015

Members (10)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 12 families.
1	4RRT	Kd = 1.82 uM	3V4	C10 H16	CC1=CC[C@H....
2	4ZV8	-	TMH	C10 H16	CC1=CC[C@@....
3	5UEC	-	85D	C10 H15 Br	CC1([C@@H]....
4	3IBD	-	CPZ	C9 H7 Cl N2	c1cc(ccc1c....
5	5UAP	-	82S	C10 H17 Br	C[C@@]12CC....
6	4RQL	Kd = 0.08 uM	SNE	C10 H16	CC(C)[C@@]....
7	4I91	Kd = 0.22 uM	TMH	C10 H16	CC1=CC[C@@....
8	5UFG	-	85D	C10 H15 Br	CC1([C@@H]....
9	3QOA	Kd = 0.21 uM	3QO	C12 H11 N	c1ccc(cc1)....
10	5UDA	-	CAE	C10 H18	CC1(C2CCC1....

70% Homology Family (42)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 6 families.
1	3T3R	Ki = 101 uM	9PL	C11 H16 N2 O2	CC[C@H]1[C....
2	2FDY	-	D4G	C10 H8 N2 S2	c1cnccc1SS....
3	2FDV	Ki = 800 nM	D2G	C11 H12 N2 O	CNCc1ccc(o....
4	4EJH	Kd = 4.4 uM	0QA	C10 H13 N3 O2	CN(CCCC(=O....
5	3EBS	Kd = 21 uM	N4E	C10 H13 N O2	CCOc1ccc(c....
6	1Z10	Kd = 0.27 uM	COU	C9 H6 O2	c1ccc2c(c1....
7	4EJI	Kd = 4.4 uM	0QA	C10 H13 N3 O2	CN(CCCC(=O....
8	2FDU	Ki = 14200 nM	D1G	C12 H14 N2 O	CN(C)Cc1cc....
9	2FDW	Ki = 130 nM	D3G	C10 H10 N2 O	c1cc(cnc1)....
10	2P85	-	IND	C8 H7 N	c1ccc2c(c1....
11	1Z11	Kd = 1.9 uM	8MO	C12 H8 O4	COc1c2c(cc....
12	4EJJ	Kd = 470 uM	NCT	C10 H14 N2	C[N@@]1CCC....
13	4EJG	-	NCT	C10 H14 N2	C[N@@]1CCC....
14	3T3Q	Ki = 49 uM	9PL	C11 H16 N2 O2	CC[C@H]1[C....
15	5E58	Kd = 2.3 uM	CPZ	C9 H7 Cl N2	c1cc(ccc1c....
16	1NR6	Kd ~ 50 uM	DIF	C14 H11 Cl2 N O2	c1ccc(c(c1....
17	1N6B	Kd = 20 uM	DMZ	C17 H17 N3 O2 S	Cc1ccc(cc1....
18	4RRT	Kd = 1.82 uM	3V4	C10 H16	CC1=CC[C@H....
19	4ZV8	-	TMH	C10 H16	CC1=CC[C@@....
20	5UEC	-	85D	C10 H15 Br	CC1([C@@H]....
21	3IBD	-	CPZ	C9 H7 Cl N2	c1cc(ccc1c....
22	5UAP	-	82S	C10 H17 Br	C[C@@]12CC....
23	4RQL	Kd = 0.08 uM	SNE	C10 H16	CC(C)[C@@]....
24	4I91	Kd = 0.22 uM	TMH	C10 H16	CC1=CC[C@@....
25	5UFG	-	85D	C10 H15 Br	CC1([C@@H]....
26	3QOA	Kd = 0.21 uM	3QO	C12 H11 N	c1ccc(cc1)....
27	5UDA	-	CAE	C10 H18	CC1(C2CCC1....
28	2NNJ	Ki = 90 nM	225	C18 H19 Cl2 N O4	CCOC(=O)C1....
29	3G5N	ic50 = 0.035 uM	PB2	C16 H14 N2	c1ccc(cc1)....
30	3TMZ	ic50 = 2 uM	06X	C20 H25 Cl N2 O5	CCOC(=O)C1....
31	2BDM	ic50 = 0.9 uM	TMI	C22 H18 N2	c1ccc(cc1)....
32	4JLT	Kd = 0.7 uM	8PR	C19 H20 F N O3	c1cc(ccc1[....
33	4MGJ	-	CPZ	C9 H7 Cl N2	c1cc(ccc1c....
34	1SUO	ic50 = 0.04 uM	CPZ	C9 H7 Cl N2	c1cc(ccc1c....
35	5W0C	-	9W6	C15 H12 N4 O4 S2	CCOC(=O)NC....
36	4NZ2	Kd = 2 uM	2QJ	C16 H12 Br Cl F3 N O4 S	C[C@@](C(=....
37	5X24	-	LSN	C22 H23 Cl N6 O	CCCCc1nc(c....
38	5X23	-	LSN	C22 H23 Cl N6 O	CCCCc1nc(c....
39	1R9O	-	FLP	C15 H13 F O2	C[C@@H](c1....
40	5XXI	-	LSN	C22 H23 Cl N6 O	CCCCc1nc(c....
41	5K7K	ic50 = 36 nM	6RJ	C19 H12 Cl N5 O3 S2	c1cc(c(cc1....
42	3T3Z	Ki = 765 uM	9PL	C11 H16 N2 O2	CC[C@H]1[C....

50% Homology Family (46)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 5 families.
1	3T3R	Ki = 101 uM	9PL	C11 H16 N2 O2	CC[C@H]1[C....
2	2FDY	-	D4G	C10 H8 N2 S2	c1cnccc1SS....
3	2FDV	Ki = 800 nM	D2G	C11 H12 N2 O	CNCc1ccc(o....
4	4EJH	Kd = 4.4 uM	0QA	C10 H13 N3 O2	CN(CCCC(=O....
5	3EBS	Kd = 21 uM	N4E	C10 H13 N O2	CCOc1ccc(c....
6	1Z10	Kd = 0.27 uM	COU	C9 H6 O2	c1ccc2c(c1....
7	4EJI	Kd = 4.4 uM	0QA	C10 H13 N3 O2	CN(CCCC(=O....
8	2FDU	Ki = 14200 nM	D1G	C12 H14 N2 O	CN(C)Cc1cc....
9	2FDW	Ki = 130 nM	D3G	C10 H10 N2 O	c1cc(cnc1)....
10	2P85	-	IND	C8 H7 N	c1ccc2c(c1....
11	1Z11	Kd = 1.9 uM	8MO	C12 H8 O4	COc1c2c(cc....
12	4EJJ	Kd = 470 uM	NCT	C10 H14 N2	C[N@@]1CCC....
13	4EJG	-	NCT	C10 H14 N2	C[N@@]1CCC....
14	3T3Q	Ki = 49 uM	9PL	C11 H16 N2 O2	CC[C@H]1[C....
15	5E58	Kd = 2.3 uM	CPZ	C9 H7 Cl N2	c1cc(ccc1c....
16	1NR6	Kd ~ 50 uM	DIF	C14 H11 Cl2 N O2	c1ccc(c(c1....
17	1N6B	Kd = 20 uM	DMZ	C17 H17 N3 O2 S	Cc1ccc(cc1....
18	4RRT	Kd = 1.82 uM	3V4	C10 H16	CC1=CC[C@H....
19	4ZV8	-	TMH	C10 H16	CC1=CC[C@@....
20	5UEC	-	85D	C10 H15 Br	CC1([C@@H]....
21	3IBD	-	CPZ	C9 H7 Cl N2	c1cc(ccc1c....
22	5UAP	-	82S	C10 H17 Br	C[C@@]12CC....
23	4RQL	Kd = 0.08 uM	SNE	C10 H16	CC(C)[C@@]....
24	4I91	Kd = 0.22 uM	TMH	C10 H16	CC1=CC[C@@....
25	5UFG	-	85D	C10 H15 Br	CC1([C@@H]....
26	3QOA	Kd = 0.21 uM	3QO	C12 H11 N	c1ccc(cc1)....
27	5UDA	-	CAE	C10 H18	CC1(C2CCC1....
28	2NNJ	Ki = 90 nM	225	C18 H19 Cl2 N O4	CCOC(=O)C1....
29	4XRZ	ic50 = 0.37 uM	SI6	C16 H16 F2 N4 O S	c1cc(c(cc1....
30	4WNU	-	QDN	C20 H24 N2 O2	COc1ccc2c(....
31	4WNV	-	QI9	C20 H24 N2 O2	COc1ccc2c(....
32	4XRY	ic50 = 13.9 uM	SI5	C17 H18 F2 N4 O S	Cn1cc(cn1)....
33	3G5N	ic50 = 0.035 uM	PB2	C16 H14 N2	c1ccc(cc1)....
34	3TMZ	ic50 = 2 uM	06X	C20 H25 Cl N2 O5	CCOC(=O)C1....
35	2BDM	ic50 = 0.9 uM	TMI	C22 H18 N2	c1ccc(cc1)....
36	4JLT	Kd = 0.7 uM	8PR	C19 H20 F N O3	c1cc(ccc1[....
37	4MGJ	-	CPZ	C9 H7 Cl N2	c1cc(ccc1c....
38	1SUO	ic50 = 0.04 uM	CPZ	C9 H7 Cl N2	c1cc(ccc1c....
39	5W0C	-	9W6	C15 H12 N4 O4 S2	CCOC(=O)NC....
40	4NZ2	Kd = 2 uM	2QJ	C16 H12 Br Cl F3 N O4 S	C[C@@](C(=....
41	5X24	-	LSN	C22 H23 Cl N6 O	CCCCc1nc(c....
42	5X23	-	LSN	C22 H23 Cl N6 O	CCCCc1nc(c....
43	1R9O	-	FLP	C15 H13 F O2	C[C@@H](c1....
44	5XXI	-	LSN	C22 H23 Cl N6 O	CCCCc1nc(c....
45	5K7K	ic50 = 36 nM	6RJ	C19 H12 Cl N5 O3 S2	c1cc(c(cc1....
46	3T3Z	Ki = 765 uM	9PL	C11 H16 N2 O2	CC[C@H]1[C....

Polypharmacology

Similar Ligands (2D)

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

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	CPZ	1	1
2	PIM	0.526316	0.826087

Similar Ligands (3D)

Ligand no: 1; Ligand: CPZ; Similar ligands found: 1063

No:	Ligand	Similarity coefficient
1	36Y	1.0000
2	SNU	1.0000
3	MSR	1.0000
4	C1M	1.0000
5	TZF	1.0000
6	A5E	0.9990
7	2QC	0.9777
8	F4K	0.9756
9	HNH	0.9751
10	PIY	0.9746
11	M3H	0.9739
12	1Z6	0.9729
13	5LA	0.9719
14	HDH	0.9712
15	KTJ	0.9701
16	TYL	0.9694
17	GVY	0.9683
18	PH3	0.9669
19	92G	0.9653
20	BNL	0.9653
21	80G	0.9648
22	0BP	0.9626
23	RA7	0.9603
24	J9Q	0.9597
25	C82	0.9590
26	AOT	0.9586
27	2HC	0.9581
28	ICB	0.9580
29	HX4	0.9577
30	BZ2	0.9575
31	F4E	0.9574
32	X48	0.9570
33	JAH	0.9569
34	0NX	0.9568
35	HNL	0.9565
36	HNK	0.9565
37	M6H	0.9563
38	4PN	0.9559
39	M45	0.9554
40	ESP	0.9549
41	IWT	0.9549
42	BP7	0.9548
43	6SD	0.9544
44	SWX	0.9536
45	UNJ	0.9536
46	PO6	0.9533
47	ESX	0.9533
48	94W	0.9531
49	XCG	0.9528
50	7VP	0.9524
51	OTR	0.9520
52	HC4	0.9510
53	NCT	0.9506
54	50C	0.9506
55	GVG	0.9505
56	4WL	0.9505
57	XIZ	0.9505
58	PPY	0.9502
59	TCA	0.9499
60	OQC	0.9495
61	MPV	0.9493
62	97T	0.9492
63	R20	0.9491
64	4ZA	0.9490
65	CWJ	0.9489
66	52C	0.9489
67	4BY	0.9485
68	N2Z	0.9483
69	PJW	0.9482
70	3ZB	0.9478
71	L5V	0.9473
72	VC3	0.9472
73	6KT	0.9471
74	363	0.9468
75	4P5	0.9468
76	P81	0.9468
77	TYR	0.9467
78	4LW	0.9466
79	3VS	0.9464
80	ANN	0.9462
81	CH9	0.9461
82	4BL	0.9457
83	C53	0.9456
84	E5X	0.9452
85	PNZ	0.9450
86	AN3	0.9449
87	4BZ	0.9449
88	J9N	0.9445
89	JF6	0.9445
90	4HB	0.9444
91	HHH	0.9441
92	FZM	0.9439
93	795	0.9437
94	6TZ	0.9434
95	GZ2	0.9433
96	7O4	0.9430
97	K34	0.9429
98	6FZ	0.9428
99	E3X	0.9427
100	X0U	0.9426
101	HQJ	0.9424
102	HIS	0.9420
103	B1J	0.9410
104	PHU	0.9406
105	DE5	0.9404
106	2F6	0.9401
107	XDK	0.9401
108	L99	0.9398
109	SQ7	0.9393
110	M4T	0.9391
111	HIC	0.9389
112	PHB	0.9389
113	36E	0.9387
114	I3E	0.9383
115	DHI	0.9381
116	1F1	0.9381
117	HBD	0.9381
118	KDG	0.9381
119	0HO	0.9380
120	GO2	0.9379
121	1FD	0.9377
122	PBZ	0.9377
123	3A9	0.9376
124	S0E	0.9376
125	1IT	0.9371
126	SQ4	0.9370
127	HCI	0.9370
128	2HU	0.9370
129	4MA	0.9369
130	FK8	0.9364
131	5NI	0.9361
132	L03	0.9360
133	ODO	0.9358
134	0HN	0.9358
135	HXY	0.9356
136	9CA	0.9356
137	6NI	0.9355
138	N2I	0.9354
139	EN1	0.9353
140	4LV	0.9353
141	4YO	0.9352
142	492	0.9351
143	URO	0.9351
144	JBZ	0.9350
145	TMG	0.9348
146	JAW	0.9345
147	PAB	0.9344
148	3NY	0.9344
149	2HG	0.9343
150	NPO	0.9341
151	JRB	0.9340
152	AKG	0.9339
153	OGA	0.9338
154	GWM	0.9337
155	E1T	0.9337
156	AMH	0.9335
157	54E	0.9335
158	RUY	0.9334
159	Z82	0.9334
160	N3W	0.9332
161	BPY	0.9331
162	9FL	0.9330
163	2ZM	0.9330
164	6NT	0.9327
165	LNR	0.9322
166	15N	0.9321
167	DTY	0.9320
168	MPK	0.9318
169	CLW	0.9314
170	AMS	0.9313
171	4BF	0.9313
172	0TU	0.9311
173	PHE	0.9310
174	AHN	0.9310
175	1Y6	0.9309
176	S2G	0.9307
177	ENO	0.9307
178	ISZ	0.9306
179	4JQ	0.9305
180	JDN	0.9305
181	BPN	0.9303
182	MQN	0.9303
183	4NM	0.9303
184	8ZE	0.9303
185	HL4	0.9302
186	1A7	0.9301
187	ABI	0.9300
188	CFI	0.9297
189	HHI	0.9296
190	4NB	0.9296
191	88L	0.9292
192	9R5	0.9292
193	826	0.9290
194	FBB	0.9289
195	K2T	0.9289
196	AEG	0.9288
197	173	0.9286
198	6FB	0.9286
199	PFF	0.9285
200	MS9	0.9285
201	0JD	0.9282
202	SLS	0.9282
203	BZ3	0.9280
204	PQS	0.9277
205	PHI	0.9276
206	174	0.9275
207	1L5	0.9275
208	SW7	0.9274
209	CFA	0.9273
210	GT4	0.9273
211	TYE	0.9272
212	NFA	0.9270
213	ODK	0.9270
214	EOU	0.9270
215	4FA	0.9270
216	TIH	0.9269
217	ES2	0.9269
218	UA5	0.9268
219	3VQ	0.9267
220	1A5	0.9267
221	7BC	0.9267
222	P72	0.9267
223	ALE	0.9266
224	HF2	0.9266
225	2BG	0.9266
226	DHB	0.9264
227	TGX	0.9264
228	FHC	0.9258
229	A7H	0.9258
230	2FY	0.9258
231	INO	0.9258
232	LQ2	0.9258
233	GF4	0.9256
234	DPN	0.9256
235	TT4	0.9256
236	FDR	0.9255
237	4HP	0.9253
238	BHO	0.9252
239	6ZX	0.9247
240	NNO	0.9247
241	CXH	0.9245
242	268	0.9245
243	KBZ	0.9243
244	J6W	0.9242
245	TSU	0.9239
246	L22	0.9239
247	9FH	0.9239
248	3R4	0.9238
249	HFA	0.9237
250	FHB	0.9236
251	TYC	0.9235
252	1WC	0.9233
253	NIZ	0.9233
254	SNO	0.9233
255	5OB	0.9231
256	61M	0.9228
257	JA5	0.9228
258	4V2	0.9225
259	YRL	0.9224
260	RNO	0.9224
261	N1E	0.9222
262	CK2	0.9221
263	DZA	0.9221
264	657	0.9221
265	PAC	0.9221
266	5QY	0.9220
267	P7Y	0.9220
268	AC6	0.9219
269	1M2	0.9216
270	XIY	0.9216
271	NYL	0.9214
272	2BX	0.9214
273	15E	0.9214
274	LR8	0.9211
275	BRH	0.9210
276	L14	0.9209
277	FCR	0.9208
278	259	0.9208
279	428	0.9205
280	TIU	0.9204
281	LJ3	0.9203
282	4A3	0.9203
283	E7S	0.9202
284	ET2	0.9202
285	152	0.9200
286	EVF	0.9200
287	3PF	0.9200
288	A29	0.9199
289	2HO	0.9199
290	12T	0.9198
291	D48	0.9197
292	93K	0.9195
293	8D6	0.9193
294	1P8	0.9193
295	TTL	0.9192
296	ONR	0.9191
297	BEA	0.9191
298	9ZE	0.9190
299	ESI	0.9190
300	3HM	0.9189
301	PPT	0.9186
302	PQM	0.9186
303	TAG	0.9185
304	LLH	0.9185
305	R2P	0.9185
306	4I8	0.9185
307	HPP	0.9184
308	6P3	0.9182
309	4NC	0.9181
310	CHB	0.9181
311	BVA	0.9181
312	GJZ	0.9181
313	XX2	0.9180
314	FBF	0.9179
315	36R	0.9179
316	M4S	0.9178
317	FBS	0.9178
318	5TY	0.9178
319	YZM	0.9177
320	EYV	0.9177
321	3AE	0.9176
322	6RQ	0.9174
323	S2P	0.9173
324	VGD	0.9173
325	IHB	0.9173
326	5OO	0.9169
327	DHY	0.9169
328	FMQ	0.9169
329	LO1	0.9168
330	ZEC	0.9167
331	9TW	0.9165
332	EQW	0.9165
333	4J8	0.9165
334	FBM	0.9163
335	JLZ	0.9162
336	ZZA	0.9161
337	2IT	0.9160
338	RKV	0.9160
339	DGL	0.9160
340	L13	0.9160
341	4JC	0.9157
342	TPA	0.9156
343	D3G	0.9155
344	A7N	0.9154
345	S0D	0.9154
346	NFM	0.9152
347	N4E	0.9149
348	8WO	0.9149
349	E0O	0.9148
350	P9P	0.9148
351	R9J	0.9147
352	S0W	0.9146
353	QIV	0.9143
354	MYJ	0.9143
355	TZM	0.9143
356	SN4	0.9143
357	KTW	0.9142
358	SHI	0.9138
359	3C4	0.9137
360	LFC	0.9136
361	GOJ	0.9136
362	M5H	0.9131
363	I1E	0.9130
364	HJH	0.9126
365	9ON	0.9125
366	HRM	0.9124
367	KDV	0.9124
368	7MW	0.9123
369	G3E	0.9123
370	K97	0.9123
371	258	0.9122
372	KLE	0.9122
373	5XC	0.9121
374	Y3L	0.9120
375	DGN	0.9120
376	DHC	0.9118
377	SE2	0.9116
378	BNF	0.9115
379	RAT	0.9113
380	H4E	0.9112
381	SAN	0.9111
382	4FH	0.9110
383	GLN	0.9110
384	GJP	0.9109
385	1HN	0.9109
386	AES	0.9109
387	GCO	0.9107
388	QSB	0.9107
389	G14	0.9105
390	FEH	0.9105
391	DC5	0.9105
392	J5I	0.9103
393	DIR	0.9102
394	1XA	0.9102
395	HSO	0.9101
396	K80	0.9100
397	X0V	0.9100
398	P9E	0.9100
399	P80	0.9099
400	PCS	0.9098
401	DDU	0.9097
402	FTV	0.9097
403	QBP	0.9096
404	A9P	0.9096
405	L15	0.9095
406	DJN	0.9095
407	EXD	0.9095
408	OKG	0.9095
409	QUS	0.9094
410	JG8	0.9094
411	0F9	0.9094
412	KTA	0.9093
413	K7M	0.9093
414	SKM	0.9091
415	GLU	0.9090
416	GGL	0.9090
417	LVD	0.9090
418	4RU	0.9090
419	E4P	0.9090
420	SV4	0.9087
421	8OZ	0.9087
422	PUE	0.9086
423	6QF	0.9085
424	SQV	0.9084
425	B40	0.9083
426	BZE	0.9083
427	GDE	0.9083
428	PRA	0.9082
429	DRG	0.9082
430	5WZ	0.9081
431	Z5P	0.9081
432	JB8	0.9081
433	N9J	0.9080
434	MAJ	0.9080
435	36M	0.9078
436	FUD	0.9078
437	ANC	0.9078
438	JMG	0.9076
439	46P	0.9070
440	GUA	0.9070
441	MP5	0.9067
442	5VL	0.9066
443	5VM	0.9066
444	JCZ	0.9066
445	CS2	0.9064
446	XDE	0.9063
447	069	0.9063
448	A5H	0.9061
449	3YP	0.9060
450	8NB	0.9060
451	4JT	0.9059
452	54Z	0.9058
453	344	0.9055
454	IV2	0.9051
455	HPS	0.9050
456	OK7	0.9050
457	8XL	0.9050
458	JA8	0.9050
459	BQ2	0.9049
460	EUE	0.9049
461	DHR	0.9049
462	5GU	0.9049
463	1BN	0.9049
464	F9P	0.9047
465	IFP	0.9047
466	2FT	0.9047
467	4TU	0.9047
468	2FX	0.9046
469	PKU	0.9046
470	OCH	0.9043
471	K4V	0.9042
472	OOG	0.9042
473	NAG	0.9041
474	03V	0.9039
475	4XF	0.9034
476	MTL	0.9029
477	BZJ	0.9029
478	SOR	0.9028
479	86J	0.9028
480	N91	0.9026
481	8HC	0.9026
482	AWE	0.9025
483	M5E	0.9025
484	4SX	0.9024
485	DAH	0.9023
486	4NZ	0.9023
487	SHA	0.9023
488	BHA	0.9023
489	JB5	0.9023
490	717	0.9022
491	AAS	0.9022
492	4AA	0.9022
493	56D	0.9022
494	M1Z	0.9019
495	4M0	0.9019
496	QMP	0.9019
497	R9S	0.9019
498	4VY	0.9018
499	IYR	0.9018
500	650	0.9018
501	GB5	0.9017
502	NF3	0.9017
503	HA5	0.9017
504	68A	0.9017
505	3QV	0.9017
506	COU	0.9016
507	AEF	0.9016
508	GLO	0.9015
509	URS	0.9015
510	92K	0.9015
511	0FK	0.9014
512	2AQ	0.9013
513	LDP	0.9013
514	5H6	0.9011
515	FF2	0.9010
516	QME	0.9009
517	0FN	0.9009
518	45L	0.9008
519	H42	0.9008
520	92P	0.9007
521	A4T	0.9007
522	DHK	0.9007
523	1X4	0.9006
524	RMN	0.9006
525	J9T	0.9005
526	5TT	0.9004
527	EKZ	0.9004
528	3VX	0.9003
529	5O6	0.9002
530	4FS	0.9002
531	F9Y	0.9001
532	ZYR	0.9000
533	9FE	0.9000
534	HNT	0.9000
535	SYV	0.9000
536	27B	0.8999
537	LGT	0.8998
538	8U3	0.8998
539	1KP	0.8998
540	8NX	0.8994
541	KJU	0.8994
542	7W1	0.8994
543	AX7	0.8991
544	UN1	0.8990
545	ES5	0.8988
546	FA0	0.8987
547	DOB	0.8987
548	OHJ	0.8986
549	7OD	0.8985
550	78Y	0.8985
551	HHS	0.8983
552	2HQ	0.8983
553	TB8	0.8982
554	ERZ	0.8982
555	HWD	0.8982
556	86L	0.8980
557	KMY	0.8979
558	3QM	0.8979
559	EA1	0.8979
560	S8V	0.8978
561	5DL	0.8977
562	2UB	0.8977
563	IAC	0.8977
564	MXD	0.8976
565	SME	0.8976
566	3ID	0.8976
567	B2Y	0.8976
568	FAN	0.8975
569	2D2	0.8974
570	GZQ	0.8973
571	1VK	0.8972
572	0W1	0.8972
573	IOS	0.8971
574	AU8	0.8971
575	PBA	0.8970
576	DAL DAL	0.8970
577	2PK	0.8970
578	W29	0.8969
579	N8Y	0.8969
580	49F	0.8968
581	S7J	0.8966
582	SOJ	0.8966
583	LT2	0.8966
584	A4N	0.8966
585	PZI	0.8965
586	OW7	0.8965
587	7MU	0.8965
588	HBO	0.8964
589	LZ5	0.8964
590	HQT	0.8964
591	FYR	0.8963
592	CXF	0.8963
593	C2Y	0.8963
594	Z13	0.8961
595	ANF	0.8961
596	AY4	0.8961
597	B85	0.8958
598	ABV	0.8957
599	YPN	0.8956
600	SSC	0.8954
601	39O	0.8953
602	2PV	0.8950
603	AA	0.8949
604	HG3	0.8948
605	ITE	0.8947
606	CTL	0.8947
607	MAH	0.8946
608	QSH	0.8946
609	PBN	0.8943
610	LR5	0.8943
611	M3E	0.8943
612	NDH	0.8941
613	4CF	0.8940
614	PEY	0.8939
615	4NP	0.8938
616	DMD	0.8938
617	9NB	0.8937
618	2O6	0.8937
619	AM4	0.8937
620	CCU	0.8936
621	KYN	0.8936
622	7MX	0.8934
623	TID	0.8934
624	A2G	0.8931
625	XRG	0.8931
626	RBJ	0.8930
627	SMN	0.8930
628	XRS	0.8929
629	5QX	0.8928
630	9RW	0.8924
631	8W9	0.8924
632	VXX	0.8923
633	2MI	0.8922
634	GRO	0.8922
635	YIE	0.8921
636	5CU	0.8919
637	LSQ	0.8919
638	3W8	0.8918
639	ASC	0.8917
640	30G	0.8916
641	XAZ	0.8915
642	CK1	0.8914
643	3PG	0.8913
644	ALA ALA	0.8912
645	QBS	0.8911
646	3VW	0.8910
647	23J	0.8908
648	9UL	0.8907
649	M4E	0.8907
650	449	0.8906
651	4FF	0.8905
652	1KN	0.8904
653	EE8	0.8903
654	SKA	0.8903
655	2AL	0.8903
656	QY9	0.8900
657	4JE	0.8899
658	M78	0.8898
659	V1T	0.8897
660	ZXD	0.8897
661	4Z4	0.8896
662	X11	0.8896
663	F69	0.8895
664	BEZ	0.8895
665	BIK	0.8894
666	RKN	0.8893
667	AVI	0.8893
668	9H2	0.8893
669	PEA	0.8893
670	F90	0.8891
671	K82	0.8891
672	M4N	0.8891
673	2P3	0.8890
674	12Q	0.8890
675	HL5	0.8889
676	TWO	0.8889
677	270	0.8889
678	RD4	0.8888
679	49O	0.8888
680	OTW	0.8888
681	THA	0.8887
682	7N0	0.8886
683	UFV	0.8885
684	PRL	0.8885
685	DHS	0.8883
686	5WV	0.8882
687	AL0	0.8880
688	505	0.8879
689	KF5	0.8879
690	AZ9	0.8879
691	FGZ	0.8878
692	FQX	0.8877
693	KLS	0.8877
694	42J	0.8876
695	A9K	0.8873
696	2K8	0.8873
697	OVM	0.8872
698	5NU	0.8872
699	2A9	0.8870
700	XM0	0.8870
701	CN0	0.8869
702	BP3	0.8869
703	CP7	0.8869
704	LL1	0.8867
705	AJY	0.8867
706	11C	0.8865
707	MD6	0.8865
708	PNP	0.8864
709	I4B	0.8863
710	MMS	0.8861
711	BEN	0.8859
712	CLU	0.8858
713	AMQ	0.8858
714	5XB	0.8858
715	IPB	0.8857
716	MR1	0.8857
717	4NS	0.8856
718	TRP	0.8856
719	IPO	0.8855
720	4CM	0.8853
721	833	0.8852
722	OA1	0.8851
723	4MB	0.8851
724	SKF	0.8851
725	Z70	0.8850
726	Q02	0.8850
727	SEP	0.8849
728	27K	0.8849
729	EGR	0.8848
730	PH2	0.8847
731	DIN	0.8847
732	13P	0.8847
733	4XV	0.8846
734	72D	0.8845
735	S7S	0.8845
736	K3D	0.8845
737	11S	0.8845
738	NCA	0.8844
739	SAF	0.8842
740	HBA	0.8842
741	MVN	0.8842
742	GB4	0.8840
743	GZL	0.8840
744	6HO	0.8840
745	GLY GLY	0.8839
746	14O	0.8839
747	VNL	0.8838
748	S60	0.8838
749	9FG	0.8836
750	A98	0.8835
751	PD2	0.8835
752	AMR	0.8834
753	ICO	0.8834
754	0N7	0.8833
755	FCD	0.8832
756	6ME	0.8831
757	4FE	0.8831
758	BDP	0.8830
759	E7Z	0.8830
760	3HG	0.8829
761	DEZ	0.8827
762	F60	0.8826
763	GAB	0.8825
764	ES7	0.8824
765	AX3	0.8824
766	T2D	0.8823
767	BGU	0.8822
768	AZM	0.8821
769	FQI	0.8821
770	6J5	0.8820
771	DVQ	0.8820
772	JAE	0.8817
773	KJH	0.8816
774	MRW	0.8816
775	A7W	0.8814
776	HQD	0.8814
777	2JX	0.8813
778	5RO	0.8813
779	5E5	0.8813
780	613	0.8809
781	A5Q	0.8809
782	KOJ	0.8808
783	2FQ	0.8807
784	KYA	0.8806
785	UNU	0.8804
786	44W	0.8802
787	NIO	0.8801
788	QIC	0.8801
789	DQU	0.8800
790	0FR	0.8799
791	SD4	0.8798
792	IS2	0.8792
793	7FU	0.8792
794	KKN	0.8792
795	Q06	0.8790
796	2CZ	0.8790
797	SSB	0.8789
798	ZYX	0.8789
799	MOK	0.8788
800	LYS	0.8786
801	PBC	0.8786
802	5RN	0.8785
803	2K4	0.8785
804	M1T	0.8783
805	4XS	0.8783
806	RSO	0.8781
807	S0G	0.8781
808	DNF	0.8780
809	HJ7	0.8779
810	3HB	0.8779
811	P92	0.8777
812	URC	0.8777
813	LEL	0.8775
814	M2K	0.8775
815	4FC	0.8775
816	QX4	0.8775
817	BZQ	0.8773
818	N2Y	0.8773
819	9RH	0.8772
820	64Z	0.8772
821	5H1	0.8771
822	5MI	0.8771
823	PXL	0.8771
824	F31	0.8770
825	ISN	0.8768
826	MLT	0.8768
827	6PC	0.8763
828	3AL	0.8763
829	2B4	0.8760
830	A51	0.8759
831	H4N	0.8759
832	BGC	0.8759
833	Y4L	0.8757
834	PZM	0.8757
835	K7H	0.8755
836	NGA	0.8755
837	89J	0.8754
838	KMH	0.8753
839	AAN	0.8753
840	XHP	0.8752
841	8WT	0.8751
842	0VT	0.8751
843	APG	0.8750
844	OAA	0.8749
845	5GT	0.8748
846	BAM	0.8748
847	YTX	0.8747
848	7WG	0.8747
849	2KA	0.8747
850	6AI	0.8747
851	CLZ	0.8746
852	1PS	0.8745
853	0FO	0.8744
854	OW4	0.8744
855	GNM	0.8743
856	8V8	0.8742
857	DCZ	0.8742
858	CCD	0.8742
859	8CM	0.8741
860	B62	0.8741
861	BTM	0.8740
862	NMM	0.8740
863	B4O	0.8738
864	1SA	0.8738
865	QMR	0.8736
866	54X	0.8736
867	67N	0.8736
868	LMR	0.8736
869	PMF	0.8735
870	INE	0.8735
871	A7K	0.8734
872	THU	0.8733
873	DYA	0.8730
874	KUF	0.8730
875	N7I	0.8729
876	OVV	0.8728
877	KW8	0.8727
878	0SY	0.8726
879	DUR	0.8726
880	5JQ	0.8726
881	FA1	0.8725
882	AJV	0.8725
883	CC5	0.8724
884	XQ0	0.8724
885	FK1	0.8724
886	8NY	0.8724
887	0P6	0.8723
888	44V	0.8723
889	GP9	0.8721
890	ADA	0.8721
891	7W4	0.8720
892	7Q1	0.8719
893	CWD	0.8719
894	HHR	0.8719
895	BNS	0.8719
896	0UL	0.8717
897	3OC	0.8717
898	5MB	0.8716
899	NDG	0.8715
900	1CY	0.8715
901	ONH	0.8714
902	I3A	0.8714
903	ES9	0.8714
904	QWN	0.8713
905	L1T	0.8712
906	HNM	0.8712
907	R9Y	0.8711
908	OVP	0.8711
909	H8N	0.8710
910	PLP	0.8710
911	GCU	0.8707
912	AC0	0.8705
913	CWS	0.8705
914	JGB	0.8704
915	TR4	0.8704
916	5GV	0.8704
917	PGH	0.8703
918	3XR	0.8701
919	GDL	0.8700
920	GTR	0.8700
921	N0Z	0.8700
922	GPF	0.8698
923	WCE	0.8697
924	3AB	0.8696
925	3NT	0.8695
926	A9O	0.8695
927	FBJ	0.8693
928	ARG	0.8692
929	X1R	0.8691
930	F06	0.8689
931	ZRK	0.8689
932	BZX	0.8688
933	TJM	0.8687
934	GPJ	0.8687
935	977	0.8683
936	M6W	0.8682
937	ORN	0.8681
938	MIL	0.8681
939	PDC	0.8680
940	FWD	0.8680
941	YCP	0.8679
942	GOE	0.8676
943	IWD	0.8673
944	CWM	0.8673
945	4VP	0.8673
946	4AF	0.8672
947	H75	0.8671
948	NTN	0.8670
949	TTY	0.8670
950	RP3	0.8670
951	BWD	0.8669
952	5HN	0.8669
953	DQA	0.8668
954	75K	0.8666
955	4CS	0.8666
956	53C	0.8665
957	HMH	0.8665
958	6HX	0.8664
959	6MW	0.8663
960	MSL	0.8663
961	Q04	0.8661
962	9GB	0.8661
963	CCE	0.8660
964	4Z3	0.8659
965	H5B	0.8659
966	QXW	0.8659
967	ES0	0.8659
968	RHU	0.8658
969	FP1	0.8657
970	W81	0.8657
971	2LT	0.8655
972	RSV	0.8654
973	A5P	0.8654
974	G3P	0.8653
975	BPU	0.8652
976	2AK	0.8652
977	MUK	0.8651
978	M1A	0.8651
979	NBZ	0.8651
980	0OO	0.8647
981	Q88	0.8645
982	BBK	0.8644
983	9SE	0.8643
984	2D0	0.8643
985	ASP	0.8643
986	PEP	0.8642
987	7WR	0.8642
988	TH7	0.8642
989	I2E	0.8640
990	8GC	0.8637
991	2GQ	0.8636
992	DBH	0.8636
993	ZHA	0.8635
994	0OL	0.8634
995	0OK	0.8633
996	22L	0.8633
997	28A	0.8632
998	DER	0.8631
999	PRF	0.8630
1000	Y0V	0.8630
1001	EWG	0.8630
1002	PMB	0.8626
1003	8K2	0.8626
1004	BCK	0.8625
1005	DE3	0.8623
1006	7N8	0.8623
1007	KP2	0.8623
1008	NM2	0.8622
1009	PZA	0.8622
1010	6J9	0.8620
1011	3HP	0.8620
1012	QBK	0.8618
1013	FB2	0.8618
1014	HPN	0.8615
1015	VM1	0.8613
1016	4ME	0.8611
1017	MXN	0.8610
1018	AVJ	0.8608
1019	JP2	0.8607
1020	AJ2	0.8606
1021	FOM	0.8605
1022	GBN	0.8605
1023	CP6	0.8605
1024	OMD	0.8605
1025	14J	0.8605
1026	XRX	0.8603
1027	XI7	0.8601
1028	TSS	0.8601
1029	3S5	0.8601
1030	5AD	0.8599
1031	8TX	0.8599
1032	RQD	0.8594
1033	FER	0.8593
1034	FUM	0.8593
1035	3HA	0.8592
1036	FA3	0.8592
1037	26C	0.8591
1038	VGL	0.8591
1039	G3H	0.8590
1040	JTH	0.8589
1041	STT	0.8580
1042	EPR	0.8580
1043	RYV	0.8577
1044	261	0.8577
1045	4JL	0.8575
1046	YE6	0.8573
1047	PRZ	0.8570
1048	3DM	0.8569
1049	SAL	0.8569
1050	7QS	0.8566
1051	LOT	0.8565
1052	3BZ	0.8563
1053	C2B	0.8563
1054	SS1	0.8555
1055	FCW	0.8554
1056	ZYQ	0.8554
1057	FBW	0.8551
1058	CSN	0.8534
1059	72E	0.8531
1060	ZBT	0.8529
1061	IP8	0.8528
1062	T9G	0.8526
1063	P4L	0.8509

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

Pocket No.: 1; Query (leader) PDB : 4RQL; Ligand: SNE; 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: 4rql.bio2) has 13 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 2; Query (leader) PDB : 4RQL; Ligand: SNE; 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: 4rql.bio1) has 15 residues
No:	Leader PDB	Ligand	Sequence Similarity

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