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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
6FUL	1.65 Å	EC: 1.14.11.-	CRYSTAL STRUCTURE OF UTX COMPLEXED WITH 5-HYDROXY-4-KETO-1-M PICOLINATE	HOMO SAPIENS	JUMONJI DEMETHYLASE INHIBITOR OXIDOREDUCTASE
Ref.:	IN SILICO IDENTIFICATION OF JMJD3 DEMETHYLASE INHIB J CHEM INF MODEL V. 58 2151 2018

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	Molecular Weight (Da)	Formula	SMILES
SO4	A:1504; A:1506; A:1508; A:1505; A:1509; A:1507;	Invalid; Invalid; Invalid; Invalid; Invalid; Invalid;	none; none; none; none; none; none;	submit data	96.063	O4 S	[O-]S...
PG0	A:1510;	Valid;	none;	ic50 = 12 uM	120.147	C5 H12 O3	COCCO...
ZN	A:1503;	Part of Protein;	none;	submit data	65.409	Zn	[Zn+2...
MN	A:1502;	Part of Protein;	none;	submit data	54.938	Mn	[Mn+2...
E7Z	A:1501;	Valid;	none;	submit data	169.135	C7 H7 N O4	CN1C=...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
6FUL	1.65 Å	EC: 1.14.11.-	CRYSTAL STRUCTURE OF UTX COMPLEXED WITH 5-HYDROXY-4-KETO-1-M PICOLINATE	HOMO SAPIENS	JUMONJI DEMETHYLASE INHIBITOR OXIDOREDUCTASE
Ref.:	IN SILICO IDENTIFICATION OF JMJD3 DEMETHYLASE INHIB J CHEM INF MODEL V. 58 2151 2018

Members (4)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 43 families.
1	6FUK	-	8XQ	C10 H7 N O3	c1cc2c(ccc....
2	3AVS	-	OGA	C4 H5 N O5	C(C(=O)O)N....
3	6G8F	-	K0I	C22 H23 N5 O2	c1ccc2c(c1....
4	6FUL	ic50 = 12 uM	PG0	C5 H12 O3	COCCOCCO

70% Homology Family (8)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 31 families.
1	4ASK	-	K0I	C22 H23 N5 O2	c1ccc2c(c1....
2	5FP3	ic50 = 1.259 uM	YC8	C16 H16 N2 O3	c1ccc(cc1)....
3	4EYU	-	OGA	C4 H5 N O5	C(C(=O)O)N....
4	2XUE	-	AKG	C5 H6 O5	C(CC(=O)O)....
5	6FUK	-	8XQ	C10 H7 N O3	c1cc2c(ccc....
6	3AVS	-	OGA	C4 H5 N O5	C(C(=O)O)N....
7	6G8F	-	K0I	C22 H23 N5 O2	c1ccc2c(c1....
8	6FUL	ic50 = 12 uM	PG0	C5 H12 O3	COCCOCCO

50% Homology Family (8)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 28 families.
1	4ASK	-	K0I	C22 H23 N5 O2	c1ccc2c(c1....
2	5FP3	ic50 = 1.259 uM	YC8	C16 H16 N2 O3	c1ccc(cc1)....
3	4EYU	-	OGA	C4 H5 N O5	C(C(=O)O)N....
4	2XUE	-	AKG	C5 H6 O5	C(CC(=O)O)....
5	6FUK	-	8XQ	C10 H7 N O3	c1cc2c(ccc....
6	3AVS	-	OGA	C4 H5 N O5	C(C(=O)O)N....
7	6G8F	-	K0I	C22 H23 N5 O2	c1ccc2c(c1....
8	6FUL	ic50 = 12 uM	PG0	C5 H12 O3	COCCOCCO

Polypharmacology

Similar Ligands (2D)

Ligand no: 1; Ligand: PG0; Similar ligands found: 35

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	PG0	1	1
2	15P	0.909091	0.923077
3	7PG	0.909091	0.923077
4	P15	0.909091	0.923077
5	PEU	0.909091	0.923077
6	TOE	0.909091	0.96
7	ETE	0.909091	0.96
8	1PG	0.909091	0.923077
9	PGE	0.619048	0.769231
10	M2M	0.619048	0.8
11	PG5	0.590909	0.769231
12	P6G	0.590909	0.740741
13	PG6	0.590909	0.740741
14	12P	0.590909	0.740741
15	P33	0.590909	0.740741
16	PE8	0.590909	0.740741
17	PE3	0.590909	0.740741
18	2PE	0.590909	0.740741
19	33O	0.590909	0.740741
20	XPE	0.590909	0.740741
21	1PE	0.590909	0.740741
22	PG4	0.590909	0.769231
23	PEG	0.52381	0.8
24	MXE	0.52381	0.791667
25	AE3	0.518519	0.846154
26	FWN	0.5	0.814815
27	AE4	0.5	0.785714
28	P4K	0.5	0.785714
29	PE5	0.5	0.785714
30	7PE	0.5	0.785714
31	PE4	0.5	0.785714
32	PGF	0.464286	0.714286
33	ME2	0.464286	0.740741
34	PE7	0.448276	0.714286
35	ETX	0.4	0.730769

Ligand no: 2; Ligand: E7Z; Similar ligands found: 1

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	E7Z	1	1

Similar Ligands (3D)

Ligand no: 1; Ligand: PG0; Similar ligands found: 319

No:	Ligand	Similarity coefficient
1	OCT	1.0000
2	BHL	0.9822
3	BHL BHL	0.9822
4	16D	0.9760
5	O8Y	0.9676
6	HE4	0.9651
7	HP6	0.9641
8	AG2	0.9584
9	YIV	0.9583
10	HPN	0.9568
11	MHN	0.9548
12	HE2	0.9524
13	266	0.9521
14	HTX	0.9520
15	NSD	0.9514
16	ACA	0.9486
17	KQY	0.9479
18	N6C	0.9464
19	OYA	0.9453
20	5XA	0.9432
21	GUA	0.9427
22	4SD	0.9425
23	OC9	0.9415
24	BHH	0.9408
25	6NA	0.9385
26	49F	0.9385
27	3OL	0.9383
28	SHV	0.9378
29	NTU	0.9376
30	GLU	0.9372
31	NBN	0.9366
32	HX2	0.9364
33	PG3	0.9356
34	DAV	0.9352
35	FUM	0.9350
36	4HA	0.9347
37	1KA	0.9335
38	SIN	0.9324
39	SSN	0.9315
40	LEA	0.9312
41	ORN	0.9311
42	IXW	0.9310
43	GLY GLY	0.9304
44	AKG	0.9298
45	0VT	0.9294
46	PUT	0.9292
47	MET	0.9287
48	PE9	0.9282
49	ABU	0.9281
50	AML	0.9266
51	VKC	0.9262
52	LYS	0.9252
53	98J	0.9246
54	LMR	0.9232
55	OGA	0.9223
56	1SP	0.9220
57	XRG	0.9210
58	OEG	0.9207
59	011	0.9184
60	DQY	0.9168
61	DTL	0.9167
62	THE	0.9162
63	NF3	0.9155
64	OCA	0.9152
65	OKG	0.9148
66	ONH	0.9144
67	NLE	0.9138
68	7BC	0.9135
69	GLN	0.9134
70	DPF	0.9131
71	SPD	0.9129
72	XUL	0.9127
73	FW5	0.9127
74	BXO	0.9125
75	650	0.9111
76	MLT	0.9106
77	GLY ALA	0.9105
78	QDK	0.9104
79	URP	0.9103
80	KMH	0.9100
81	PKU	0.9098
82	BUB	0.9095
83	0L1	0.9091
84	BP9	0.9088
85	NWH	0.9083
86	NMH	0.9078
87	AL0	0.9078
88	S8V	0.9074
89	13P	0.9069
90	7CL	0.9064
91	DE5	0.9059
92	DPJ	0.9057
93	MAE	0.9054
94	K6V	0.9049
95	9J3	0.9048
96	SHO	0.9044
97	HSO	0.9044
98	KMT	0.9043
99	LYN	0.9038
100	ASN	0.9037
101	MEQ	0.9036
102	ODI	0.9036
103	1GP	0.9034
104	5FX	0.9032
105	XBT	0.9032
106	GOJ	0.9023
107	BNF	0.9020
108	ASP	0.9019
109	FQI	0.9012
110	DLY	0.9010
111	6XA	0.9009
112	OAA	0.9007
113	MED	0.9006
114	G3P	0.9006
115	4MV	0.9004
116	A8C	0.9002
117	G3H	0.9001
118	HSM	0.9001
119	DGL	0.8998
120	HYA	0.8996
121	PGH	0.8994
122	5BR	0.8994
123	7WG	0.8985
124	SSB	0.8982
125	HCS	0.8982
126	TZL	0.8977
127	AJ3	0.8976
128	GP9	0.8975
129	COI	0.8973
130	LTL	0.8973
131	HDA	0.8971
132	LEU	0.8970
133	MEV	0.8969
134	D10	0.8969
135	2CO	0.8964
136	SGL	0.8962
137	DGN	0.8960
138	M6W	0.8960
139	1SH	0.8957
140	ONL	0.8955
141	7C3	0.8951
142	DTU	0.8948
143	3HG	0.8947
144	OPE	0.8946
145	9X6	0.8944
146	TEO	0.8943
147	HPL	0.8942
148	GPF	0.8942
149	SHF	0.8941
150	2HG	0.8940
151	GPJ	0.8935
152	S2G	0.8934
153	URO	0.8934
154	PGA	0.8933
155	XYL	0.8932
156	SD4	0.8930
157	CCE	0.8930
158	9YL	0.8926
159	MRY	0.8925
160	FBJ	0.8921
161	HSE	0.8920
162	HZP	0.8920
163	MZW	0.8919
164	MSE	0.8917
165	MPJ	0.8917
166	XLS	0.8917
167	3S5	0.8916
168	B3M	0.8915
169	IP8	0.8914
170	3SS	0.8914
171	ZGL	0.8909
172	HL5	0.8907
173	LNO	0.8907
174	NIZ	0.8907
175	LER	0.8901
176	ISZ	0.8897
177	14J	0.8894
178	54D	0.8891
179	268	0.8889
180	ENW	0.8886
181	8EW	0.8881
182	PAH	0.8876
183	ROR	0.8872
184	C2A	0.8869
185	GJZ	0.8869
186	CFI	0.8867
187	7UC	0.8865
188	6JN	0.8862
189	CCD	0.8857
190	O45	0.8855
191	NM2	0.8853
192	FAN	0.8851
193	2EH	0.8850
194	9ON	0.8849
195	CMS	0.8849
196	1SA	0.8849
197	RJY	0.8845
198	RBL	0.8844
199	MLZ	0.8844
200	9X7	0.8842
201	129	0.8840
202	NYL	0.8837
203	CHH	0.8826
204	3YP	0.8823
205	2IT	0.8819
206	TLA	0.8818
207	DAL DAL	0.8816
208	HIS	0.8812
209	CSS	0.8812
210	264	0.8809
211	OHG	0.8806
212	1H1	0.8806
213	EOU	0.8804
214	ZBT	0.8804
215	CUW	0.8803
216	DIA	0.8802
217	XAP	0.8802
218	MUC	0.8800
219	TIU	0.8799
220	PZM	0.8797
221	NLP	0.8796
222	SKJ	0.8796
223	ILE	0.8792
224	RB5	0.8791
225	RB0	0.8791
226	UN1	0.8790
227	O7U	0.8789
228	IHG	0.8787
229	7OD	0.8786
230	MAH	0.8785
231	UGC	0.8784
232	EHM	0.8780
233	AT3	0.8776
234	M45	0.8776
235	H95	0.8774
236	4LR	0.8773
237	NVA	0.8771
238	2RH	0.8767
239	3PG	0.8767
240	LT1	0.8766
241	258	0.8766
242	69O	0.8764
243	11C	0.8764
244	FOC	0.8764
245	GGL	0.8762
246	ENV	0.8762
247	MHO	0.8762
248	OOG	0.8761
249	TAR	0.8758
250	R9M	0.8758
251	9GB	0.8752
252	DZA	0.8751
253	A20	0.8746
254	SLZ	0.8746
255	3OM	0.8746
256	PEP	0.8745
257	CXF	0.8742
258	OK7	0.8737
259	HGA	0.8734
260	SME	0.8728
261	GVA	0.8727
262	AHN	0.8726
263	X1R	0.8726
264	DCL	0.8721
265	23W	0.8720
266	URA	0.8716
267	284	0.8711
268	LUQ	0.8706
269	GRQ	0.8704
270	GVM	0.8703
271	1CO	0.8698
272	RNS	0.8698
273	PRA	0.8695
274	RTK	0.8691
275	NM3	0.8691
276	TEG	0.8691
277	DHM	0.8691
278	64Z	0.8690
279	I1E	0.8690
280	8SZ	0.8686
281	2FM	0.8682
282	Q9Z	0.8681
283	OVM	0.8680
284	FOM	0.8677
285	PML	0.8668
286	CRS	0.8668
287	I2M	0.8663
288	3OC	0.8660
289	I38	0.8659
290	152	0.8657
291	ACH	0.8656
292	3LR	0.8654
293	F9P	0.8654
294	PO6	0.8653
295	OHJ	0.8652
296	5XB	0.8651
297	ALA ALA	0.8650
298	MD0	0.8645
299	4TB	0.8641
300	NMG	0.8637
301	9YT	0.8619
302	CEE	0.8617
303	3MB	0.8617
304	1P3	0.8613
305	DIR	0.8611
306	AEF	0.8607
307	FEH	0.8600
308	N4B	0.8597
309	SPV	0.8597
310	BHU	0.8583
311	DAS	0.8582
312	KNA	0.8580
313	FK8	0.8566
314	RCO	0.8565
315	FBM	0.8554
316	CXP	0.8538
317	RBJ	0.8535
318	CLT	0.8534
319	K7M	0.8516

Ligand no: 2; Ligand: E7Z; Similar ligands found: 1214

No:	Ligand	Similarity coefficient
1	4Z4	0.9887
2	DOB	0.9739
3	BDP	0.9731
4	4NC	0.9715
5	5RG	0.9709
6	DHB	0.9706
7	FA0	0.9693
8	BGC	0.9690
9	4M0	0.9685
10	GCU	0.9685
11	GTQ	0.9683
12	5M0	0.9672
13	BHA	0.9655
14	5CU	0.9655
15	P9P	0.9649
16	GLC	0.9648
17	3PF	0.9633
18	M2K	0.9631
19	MYJ	0.9627
20	6CS	0.9618
21	INO	0.9617
22	CHB	0.9616
23	3HM	0.9610
24	MUA	0.9608
25	4A3	0.9607
26	NNO	0.9607
27	5QY	0.9607
28	LT2	0.9606
29	G3F	0.9604
30	86J	0.9601
31	FHB	0.9597
32	93K	0.9591
33	9TZ	0.9585
34	54G	0.9584
35	3DO	0.9580
36	G3E	0.9578
37	5WV	0.9570
38	8S0	0.9562
39	D48	0.9553
40	GCS	0.9551
41	TTL	0.9549
42	EA1	0.9548
43	KKN	0.9547
44	EVA	0.9545
45	ISN	0.9545
46	QSB	0.9544
47	KUF	0.9543
48	5RN	0.9540
49	5NU	0.9540
50	ICO	0.9532
51	5RO	0.9530
52	2HQ	0.9530
53	SE2	0.9528
54	15L	0.9527
55	SAL	0.9527
56	0P6	0.9525
57	ES7	0.9525
58	GCB	0.9524
59	2HO	0.9523
60	B62	0.9523
61	37T	0.9522
62	12Q	0.9516
63	7W1	0.9516
64	5OB	0.9511
65	173	0.9510
66	9TW	0.9509
67	AZ9	0.9507
68	0FO	0.9506
69	8CM	0.9504
70	AZ8	0.9503
71	9MG	0.9502
72	J5I	0.9500
73	2AK	0.9500
74	DIN	0.9499
75	BE2	0.9496
76	XHP	0.9496
77	5MK	0.9495
78	LGC	0.9495
79	GAL	0.9490
80	Q24	0.9485
81	4HC	0.9482
82	1F1	0.9478
83	8OZ	0.9477
84	COU	0.9477
85	TOF	0.9475
86	VNL	0.9474
87	AJ2	0.9473
88	IFP	0.9472
89	IHB	0.9466
90	I3A	0.9464
91	KJH	0.9463
92	DQU	0.9461
93	X0V	0.9460
94	A7W	0.9459
95	KJY	0.9458
96	M5K	0.9458
97	PE0	0.9457
98	FOT	0.9456
99	0N7	0.9454
100	EKZ	0.9451
101	OCH	0.9450
102	4AA	0.9450
103	M1A	0.9449
104	PXL	0.9448
105	HQD	0.9445
106	32X	0.9444
107	PYQ	0.9443
108	BEA	0.9442
109	CWS	0.9441
110	KT7	0.9441
111	MQN	0.9440
112	6NT	0.9439
113	5QX	0.9439
114	IJZ	0.9438
115	F31	0.9438
116	HQT	0.9437
117	GDE	0.9436
118	2LY	0.9435
119	7W4	0.9435
120	ODO	0.9434
121	8WO	0.9431
122	MEW	0.9430
123	SX1	0.9429
124	0HO	0.9429
125	4JQ	0.9429
126	MRW	0.9428
127	XQ0	0.9427
128	5NI	0.9426
129	JBE	0.9426
130	B60	0.9425
131	03V	0.9422
132	AQO	0.9422
133	H42	0.9422
134	2EC	0.9421
135	GXY	0.9420
136	GYE	0.9420
137	ES6	0.9419
138	XX2	0.9418
139	MWP	0.9418
140	7HQ	0.9418
141	SKA	0.9417
142	MS9	0.9416
143	0HN	0.9414
144	4FS	0.9412
145	B57	0.9412
146	2AQ	0.9410
147	UNC	0.9409
148	67N	0.9407
149	1NP	0.9407
150	6M9	0.9405
151	3NY	0.9405
152	DBX	0.9403
153	1P7	0.9403
154	INE	0.9402
155	SVN	0.9401
156	5WY	0.9400
157	4SV	0.9399
158	NID	0.9398
159	JB5	0.9395
160	HJP	0.9395
161	JKE	0.9394
162	6M4	0.9392
163	DHK	0.9392
164	AJV	0.9392
165	MAQ	0.9392
166	7WV	0.9392
167	39O	0.9392
168	3ID	0.9389
169	2HU	0.9388
170	GTR	0.9388
171	3U4	0.9387
172	DMD	0.9385
173	6ME	0.9384
174	ALL	0.9383
175	ES5	0.9382
176	9FL	0.9382
177	R8V	0.9381
178	24W	0.9377
179	IPB	0.9374
180	ADZ	0.9374
181	DBH	0.9372
182	NPO	0.9371
183	4FH	0.9369
184	PHB	0.9369
185	1SQ	0.9369
186	4CS	0.9369
187	2FY	0.9368
188	1LQ	0.9368
189	VK3	0.9368
190	G5V	0.9367
191	OTW	0.9366
192	NQ	0.9365
193	BZ3	0.9363
194	9PY	0.9362
195	KOJ	0.9361
196	TH7	0.9361
197	4YO	0.9361
198	0TU	0.9359
199	4SX	0.9358
200	7NI	0.9358
201	HBD	0.9356
202	0W8	0.9353
203	44W	0.9351
204	RM1	0.9349
205	8GC	0.9346
206	APZ	0.9345
207	2FQ	0.9345
208	HMH	0.9344
209	AZA	0.9340
210	Q6T	0.9337
211	4XR	0.9337
212	MVN	0.9337
213	PAB	0.9337
214	5NE	0.9335
215	DHQ	0.9335
216	VNJ	0.9333
217	KBB	0.9332
218	SKM	0.9332
219	ES1	0.9331
220	URC	0.9331
221	2ZM	0.9330
222	6NI	0.9329
223	8H8	0.9328
224	HQY	0.9328
225	5SG	0.9328
226	3IT	0.9327
227	PEY	0.9326
228	LNR	0.9325
229	ASO	0.9325
230	5Q0	0.9323
231	44V	0.9323
232	F05	0.9321
233	3Z8	0.9321
234	7VS	0.9320
235	3F0	0.9319
236	3HB	0.9316
237	3HA	0.9316
238	9CA	0.9316
239	EYK	0.9315
240	9DG	0.9315
241	0RW	0.9314
242	7B4	0.9314
243	RXA	0.9314
244	FYU	0.9312
245	5XC	0.9311
246	1LM	0.9310
247	3OC	0.9310
248	TTY	0.9309
249	3NT	0.9309
250	3A9	0.9306
251	23J	0.9306
252	C2U	0.9306
253	9EW	0.9305
254	UAN	0.9305
255	AHR	0.9305
256	LZM	0.9304
257	5B1	0.9304
258	L99	0.9303
259	PBZ	0.9303
260	4MA	0.9303
261	42A	0.9302
262	FBB	0.9302
263	K5W	0.9301
264	C2Y	0.9301
265	O72	0.9301
266	GAB	0.9301
267	N5J	0.9300
268	1WG	0.9299
269	15N	0.9299
270	QUZ	0.9297
271	826	0.9297
272	GUN	0.9294
273	IGA	0.9294
274	JBH	0.9294
275	ABI	0.9292
276	NPY	0.9292
277	53C	0.9290
278	5IQ	0.9290
279	HMU	0.9289
280	CTL	0.9289
281	M4E	0.9288
282	4YS	0.9288
283	HXX	0.9287
284	JPZ	0.9285
285	BMA	0.9285
286	IV2	0.9285
287	0JD	0.9283
288	QWN	0.9283
289	92K	0.9282
290	4ZC	0.9281
291	PFB	0.9281
292	SHG	0.9280
293	NOJ	0.9279
294	BNT	0.9278
295	2CQ	0.9278
296	92P	0.9275
297	1Y6	0.9275
298	QSH	0.9275
299	1IT	0.9275
300	XAN	0.9274
301	DRL	0.9273
302	JAW	0.9272
303	BZX	0.9271
304	24B	0.9268
305	J9Q	0.9268
306	NMJ	0.9267
307	5HN	0.9266
308	14O	0.9265
309	HA5	0.9265
310	2D0	0.9265
311	3AB	0.9265
312	7ZE	0.9264
313	JLZ	0.9262
314	3M0	0.9262
315	N8Y	0.9262
316	3WA	0.9262
317	V55	0.9261
318	TIU	0.9261
319	WOO	0.9258
320	BK9	0.9257
321	DNF	0.9257
322	BTY	0.9257
323	FDB	0.9256
324	25W	0.9256
325	4M4	0.9255
326	KBG	0.9255
327	EUG	0.9255
328	ZZT	0.9255
329	G6D	0.9255
330	5H1	0.9254
331	4XH	0.9253
332	RMN	0.9252
333	1DW	0.9252
334	6AI	0.9250
335	LDP	0.9250
336	WCE	0.9250
337	4JT	0.9249
338	K2T	0.9248
339	F60	0.9247
340	141	0.9247
341	1WD	0.9247
342	150	0.9246
343	GZL	0.9245
344	4TU	0.9244
345	CFP	0.9244
346	HH8	0.9244
347	OVV	0.9243
348	JAE	0.9242
349	GRE	0.9241
350	PDC	0.9241
351	B55	0.9240
352	XAZ	0.9239
353	FGZ	0.9236
354	9R5	0.9236
355	15E	0.9236
356	NDH	0.9232
357	174	0.9232
358	MR1	0.9230
359	SOE	0.9230
360	4MU	0.9229
361	6M1	0.9225
362	FB1	0.9225
363	DBJ	0.9224
364	5MB	0.9223
365	6F0	0.9223
366	A2F	0.9223
367	AC6	0.9223
368	TGX	0.9223
369	5MI	0.9221
370	Q88	0.9218
371	SOR	0.9218
372	QPR	0.9217
373	KJU	0.9217
374	M0Q	0.9216
375	8TX	0.9216
376	2K4	0.9215
377	JXN	0.9215
378	QXW	0.9215
379	FBV	0.9214
380	CFF	0.9214
381	FDR	0.9213
382	BCU	0.9212
383	091	0.9211
384	8ZE	0.9211
385	1XN	0.9211
386	OXC	0.9211
387	AKH	0.9208
388	X8D	0.9208
389	42C	0.9207
390	4P5	0.9207
391	ABV	0.9206
392	Z82	0.9206
393	CH9	0.9205
394	Q02	0.9204
395	R9S	0.9202
396	TC7	0.9201
397	4HM	0.9200
398	B53	0.9199
399	E1T	0.9197
400	M1Q	0.9196
401	0LH	0.9195
402	NTZ	0.9195
403	DHS	0.9194
404	SHA	0.9192
405	CLW	0.9192
406	CLZ	0.9192
407	ZYR	0.9191
408	LKA	0.9191
409	2A9	0.9190
410	XM0	0.9190
411	CN0	0.9189
412	BRT	0.9189
413	ZXD	0.9188
414	P72	0.9188
415	F4Z	0.9187
416	DIU	0.9187
417	XX3	0.9187
418	3Z7	0.9186
419	6AP	0.9185
420	QBK	0.9184
421	GLT	0.9183
422	4ME	0.9181
423	ORO	0.9178
424	9RW	0.9177
425	SRO	0.9176
426	FE DB1	0.9175
427	HHA	0.9175
428	JG8	0.9174
429	R9Y	0.9174
430	M1E	0.9172
431	HX3	0.9172
432	2ZQ	0.9171
433	290	0.9171
434	ET2	0.9171
435	ES0	0.9170
436	45C	0.9169
437	HKD	0.9169
438	6RQ	0.9169
439	1P8	0.9168
440	069	0.9168
441	CTS	0.9168
442	M0W	0.9167
443	DX4	0.9166
444	Z5P	0.9166
445	ES2	0.9165
446	BZJ	0.9164
447	QX4	0.9164
448	3SK	0.9163
449	GCW	0.9162
450	8HC	0.9162
451	AX7	0.9161
452	M6N	0.9160
453	N2I	0.9159
454	8WT	0.9159
455	HLZ	0.9158
456	680	0.9158
457	JTH	0.9157
458	ADA	0.9157
459	JXW	0.9156
460	JUG	0.9156
461	JXZ	0.9155
462	G4D	0.9155
463	2H5	0.9154
464	GVG	0.9154
465	NSP	0.9153
466	IP0	0.9153
467	J9W	0.9153
468	1KP	0.9153
469	1PT	0.9153
470	A29	0.9152
471	PRF	0.9151
472	75K	0.9151
473	6BL	0.9151
474	XYP	0.9151
475	TWO	0.9150
476	9ZE	0.9149
477	7MX	0.9149
478	HIS	0.9149
479	SJ5	0.9148
480	1U6	0.9148
481	6GU	0.9148
482	YH7	0.9148
483	AJY	0.9148
484	SYV	0.9148
485	ES9	0.9147
486	11S	0.9146
487	MO8	0.9145
488	3R6	0.9145
489	ESI	0.9145
490	VXX	0.9144
491	36R	0.9144
492	LSA	0.9143
493	7B3	0.9143
494	G1O	0.9143
495	4XV	0.9142
496	0F9	0.9142
497	CWM	0.9142
498	7WR	0.9141
499	FP1	0.9140
500	HDH	0.9140
501	2AL	0.9140
502	LXC	0.9139
503	2CK	0.9135
504	JBQ	0.9135
505	SMN	0.9134
506	FA1	0.9134
507	5JQ	0.9134
508	LDR	0.9134
509	8IG	0.9131
510	97T	0.9129
511	BOA	0.9129
512	PD2	0.9129
513	D07	0.9129
514	JB8	0.9128
515	GCV	0.9126
516	12T	0.9126
517	JDN	0.9125
518	3XX	0.9125
519	ISZ	0.9123
520	6VD	0.9122
521	BHO	0.9122
522	UFV	0.9121
523	2BG	0.9121
524	VGD	0.9121
525	F9Y	0.9119
526	4XS	0.9119
527	I6G	0.9119
528	PQ0	0.9118
529	O2A	0.9117
530	JZ3	0.9117
531	HLR	0.9116
532	NVU	0.9115
533	NK	0.9115
534	3MB	0.9115
535	3BZ	0.9115
536	PH2	0.9115
537	XXR	0.9115
538	9FE	0.9114
539	270	0.9114
540	1XM	0.9113
541	DGJ	0.9112
542	5WX	0.9111
543	N2Z	0.9110
544	AZG	0.9110
545	SAN	0.9110
546	0FK	0.9108
547	0R0	0.9108
548	M1H	0.9108
549	5VM	0.9108
550	Q7A	0.9108
551	5GU	0.9107
552	7MU	0.9107
553	5NS	0.9105
554	ZVO	0.9105
555	OVM	0.9103
556	TSS	0.9102
557	JBK	0.9102
558	2ZV	0.9102
559	JND	0.9100
560	FCR	0.9100
561	E5X	0.9100
562	FBS	0.9098
563	42J	0.9098
564	SWA	0.9097
565	52C	0.9096
566	QAS	0.9095
567	UFO	0.9095
568	RAT	0.9094
569	2KA	0.9094
570	ASC	0.9093
571	Q71	0.9090
572	L7T	0.9087
573	7VJ	0.9087
574	TEP	0.9085
575	3FH	0.9083
576	2O6	0.9082
577	PHH	0.9082
578	KGK	0.9081
579	EQT	0.9081
580	H4N	0.9080
581	MT0	0.9080
582	IFL	0.9079
583	4WL	0.9079
584	495	0.9079
585	J9T	0.9078
586	D1X	0.9077
587	GOG	0.9077
588	TT4	0.9077
589	M6Z	0.9076
590	GJS	0.9076
591	TSU	0.9074
592	CFI	0.9073
593	ADE	0.9072
594	8XL	0.9072
595	DOR	0.9070
596	HPA	0.9070
597	H7Y	0.9069
598	F0J	0.9069
599	PXM	0.9069
600	XQG	0.9068
601	FK1	0.9066
602	BZ2	0.9066
603	BPU	0.9066
604	9KT	0.9064
605	ANN	0.9064
606	F5B	0.9063
607	HH5	0.9062
608	FA3	0.9061
609	0FN	0.9059
610	VOH	0.9058
611	NOY	0.9058
612	149	0.9058
613	28N	0.9058
614	IF7	0.9057
615	DPZ	0.9057
616	PBA	0.9056
617	SW7	0.9054
618	FBT	0.9053
619	7N0	0.9053
620	PQK	0.9053
621	9AP	0.9053
622	NDM	0.9052
623	BCP	0.9052
624	PNZ	0.9052
625	UEG	0.9051
626	KDV	0.9050
627	39A	0.9048
628	ISE	0.9048
629	8W9	0.9047
630	51R	0.9046
631	0XT	0.9046
632	GM7	0.9045
633	TH0	0.9045
634	SN4	0.9044
635	GZ8	0.9043
636	2LP	0.9042
637	5JL	0.9042
638	BPN	0.9039
639	ONR	0.9038
640	8G0	0.9037
641	6PC	0.9036
642	NIZ	0.9036
643	XXG	0.9035
644	8GK	0.9035
645	XIY	0.9034
646	1HN	0.9034
647	MCT	0.9032
648	61M	0.9031
649	SVD	0.9031
650	EN1	0.9031
651	QIC	0.9030
652	2MI	0.9029
653	ROI	0.9026
654	3DM	0.9025
655	JU2	0.9025
656	H62	0.9024
657	HZQ	0.9024
658	F12	0.9023
659	PYD	0.9022
660	OA3	0.9021
661	SXS	0.9021
662	XCZ	0.9021
663	APG	0.9021
664	HHR	0.9020
665	NTM	0.9020
666	F1A	0.9019
667	4VS	0.9017
668	HQJ	0.9016
669	82I	0.9015
670	NCA	0.9015
671	EXO	0.9015
672	PHT	0.9014
673	DQA	0.9013
674	6MP	0.9013
675	SWD	0.9013
676	LZ2	0.9012
677	AEH	0.9011
678	BEZ	0.9011
679	IAC	0.9011
680	4BZ	0.9011
681	NIO	0.9010
682	GJP	0.9009
683	12B	0.9008
684	DFB	0.9008
685	4KL	0.9008
686	MAN	0.9007
687	G12	0.9007
688	BEN	0.9006
689	4RU	0.9006
690	OW4	0.9004
691	94W	0.9003
692	OMD	0.9003
693	1AL	0.9001
694	LI6	0.9000
695	AAS	0.8999
696	FBW	0.8998
697	0CU	0.8998
698	OAA	0.8996
699	KTA	0.8995
700	34D	0.8995
701	SRT	0.8994
702	F9P	0.8994
703	RAM	0.8994
704	261	0.8993
705	NAG	0.8993
706	MWM	0.8992
707	4ZA	0.8992
708	DIE	0.8991
709	6KT	0.8991
710	XBZ	0.8988
711	AMH	0.8988
712	FRU	0.8986
713	AA	0.8986
714	P92	0.8985
715	X05	0.8985
716	YQA	0.8984
717	30G	0.8984
718	FLV	0.8983
719	LCN	0.8982
720	BAM	0.8982
721	MAJ	0.8981
722	QAT	0.8981
723	9HX	0.8981
724	HBA	0.8980
725	MLT	0.8980
726	2FG	0.8979
727	T9G	0.8979
728	YCP	0.8979
729	AMS	0.8978
730	3QV	0.8978
731	226	0.8976
732	PJW	0.8976
733	2YU	0.8975
734	4J8	0.8974
735	9DA	0.8974
736	1P3	0.8974
737	PA1	0.8973
738	ARP	0.8972
739	URF	0.8972
740	AL0	0.8971
741	DNC	0.8971
742	NCT	0.8971
743	GLA	0.8970
744	UNU	0.8970
745	BSX	0.8969
746	FUL	0.8969
747	EXD	0.8967
748	KP6	0.8967
749	EJZ	0.8967
750	4ZE	0.8966
751	QOS	0.8966
752	10L	0.8966
753	PRZ	0.8966
754	KLW	0.8965
755	PZA	0.8965
756	3RK	0.8965
757	G2F	0.8964
758	KFH	0.8964
759	NBZ	0.8964
760	6FZ	0.8963
761	N3W	0.8963
762	4HO	0.8963
763	HA7	0.8963
764	PBC	0.8963
765	ESX	0.8963
766	95Z	0.8962
767	286	0.8961
768	GLF	0.8961
769	8NY	0.8961
770	717	0.8960
771	27B	0.8959
772	BTE	0.8959
773	5JC	0.8957
774	MHK	0.8957
775	HT4	0.8957
776	FH2	0.8956
777	MXN	0.8955
778	Q77	0.8955
779	DYA	0.8953
780	DX3	0.8953
781	2AC	0.8952
782	GZQ	0.8952
783	23A	0.8949
784	HIO	0.8948
785	AW5	0.8948
786	7WA	0.8948
787	EOL	0.8947
788	MZG	0.8945
789	FDK	0.8944
790	43M	0.8943
791	GOX	0.8943
792	AN3	0.8943
793	ADK	0.8942
794	WBU	0.8941
795	2MP	0.8940
796	34A	0.8939
797	FBM	0.8938
798	BP1	0.8938
799	MWJ	0.8937
800	A13	0.8937
801	YSO	0.8936
802	ANF	0.8936
803	R8A	0.8935
804	XYS	0.8935
805	4JJ	0.8934
806	7HP	0.8934
807	XYD	0.8933
808	PHE	0.8933
809	RHU	0.8931
810	BSP	0.8927
811	L5V	0.8927
812	AC0	0.8926
813	TM7	0.8925
814	57O	0.8924
815	PHU	0.8924
816	5CL	0.8923
817	1M2	0.8921
818	FK8	0.8921
819	PZI	0.8920
820	GIV	0.8919
821	3SL	0.8919
822	K34	0.8919
823	C2B	0.8918
824	TDR	0.8916
825	4NM	0.8914
826	1L5	0.8914
827	2K8	0.8913
828	GF4	0.8911
829	H5B	0.8911
830	A1U	0.8910
831	1MC	0.8909
832	DHY	0.8908
833	DEN	0.8908
834	OHP	0.8908
835	4CL	0.8907
836	INS	0.8907
837	ICB	0.8905
838	YIO	0.8904
839	MVL	0.8904
840	FAN	0.8903
841	KJ5	0.8903
842	OVP	0.8901
843	NCD	0.8901
844	NDG	0.8899
845	MSR	0.8898
846	JZ1	0.8897
847	3BU	0.8897
848	GIO	0.8895
849	1LN	0.8894
850	5MH	0.8894
851	GAF	0.8893
852	CIT	0.8892
853	KYD	0.8892
854	ICP	0.8891
855	259	0.8891
856	JZ2	0.8890
857	209	0.8890
858	IPZ	0.8889
859	0OC	0.8889
860	B5D	0.8888
861	APS	0.8888
862	ES4	0.8888
863	AY4	0.8887
864	HHS	0.8887
865	1GN	0.8885
866	9KH	0.8884
867	JA8	0.8884
868	SS1	0.8883
869	36E	0.8882
870	SYG	0.8882
871	MNM	0.8881
872	DE5	0.8881
873	7ME	0.8880
874	8XQ	0.8879
875	PFL	0.8878
876	CWJ	0.8878
877	K97	0.8878
878	5UC	0.8877
879	IND	0.8876
880	UNJ	0.8876
881	X09	0.8874
882	4JO	0.8873
883	M58	0.8872
884	QX2	0.8872
885	X6X	0.8871
886	AFR	0.8871
887	NTN	0.8870
888	IUR	0.8869
889	PM6	0.8869
890	RIB	0.8866
891	HNQ	0.8865
892	GXL	0.8864
893	60Q	0.8863
894	JFJ	0.8861
895	E7S	0.8861
896	329	0.8860
897	FBU	0.8860
898	XDE	0.8860
899	4VP	0.8859
900	XBT	0.8859
901	GT0	0.8858
902	94B	0.8857
903	ALE	0.8857
904	6TZ	0.8857
905	GNM	0.8855
906	C2A	0.8853
907	6QF	0.8853
908	BZF	0.8852
909	TLD	0.8851
910	DQN	0.8851
911	J9N	0.8851
912	4JL	0.8850
913	MZB	0.8850
914	FB2	0.8849
915	E35	0.8849
916	TBS	0.8849
917	6LW	0.8848
918	P3K	0.8848
919	GCO	0.8848
920	TIY	0.8848
921	CXP	0.8847
922	H33	0.8847
923	MIG	0.8846
924	L3Q	0.8846
925	HFB	0.8846
926	27Y	0.8845
927	BZI	0.8845
928	JFD	0.8845
929	PIM	0.8844
930	4VY	0.8843
931	PIY	0.8843
932	GOJ	0.8842
933	TSR	0.8841
934	948	0.8841
935	CBF	0.8841
936	QY9	0.8838
937	0W1	0.8838
938	ASP	0.8837
939	VGL	0.8837
940	5WU	0.8834
941	BPY	0.8834
942	EDR	0.8832
943	BR9	0.8831
944	JZ4	0.8830
945	CPZ	0.8830
946	MBG	0.8829
947	LZ1	0.8829
948	PAC	0.8829
949	JYB	0.8829
950	6R8	0.8828
951	3J8	0.8828
952	KYA	0.8823
953	0BP	0.8823
954	RNS	0.8822
955	FHN	0.8821
956	TAR	0.8820
957	KIB	0.8818
958	4FA	0.8818
959	1QP	0.8815
960	2C2	0.8814
961	MB1	0.8814
962	IDM	0.8812
963	2F6	0.8811
964	TYL	0.8811
965	GOO	0.8811
966	7CZ	0.8809
967	MJ2	0.8808
968	H8N	0.8807
969	IFM	0.8807
970	M4S	0.8806
971	L46	0.8805
972	DHR	0.8804
973	HHT	0.8803
974	GJZ	0.8803
975	BCF	0.8802
976	HQ9	0.8800
977	PMB	0.8799
978	T6C	0.8799
979	AEF	0.8798
980	FHC	0.8797
981	3YP	0.8794
982	428	0.8794
983	LYL	0.8794
984	LMR	0.8793
985	2HC	0.8793
986	K17	0.8793
987	AIN	0.8792
988	UQ	0.8791
989	QSC	0.8791
990	HCI	0.8791
991	FBA	0.8790
992	PCI	0.8790
993	4JP	0.8790
994	CXF	0.8790
995	DEE	0.8789
996	MPI	0.8788
997	SLS	0.8788
998	5LA	0.8787
999	IPM	0.8786
1000	GVH	0.8786
1001	OTR	0.8783
1002	ZZ8	0.8783
1003	0R1	0.8782
1004	68A	0.8782
1005	PRY	0.8781
1006	ZBT	0.8781
1007	SYA	0.8780
1008	BNS	0.8777
1009	H4E	0.8775
1010	D3M	0.8775
1011	3C4	0.8775
1012	0CT	0.8775
1013	12M	0.8774
1014	4JC	0.8774
1015	RJY	0.8773
1016	DNA	0.8773
1017	EGR	0.8772
1018	M4T	0.8771
1019	Y8I	0.8771
1020	NBG	0.8771
1021	GLY PRO	0.8770
1022	1WC	0.8770
1023	45L	0.8768
1024	0TR	0.8766
1025	XXP	0.8766
1026	RSO	0.8764
1027	F81	0.8763
1028	K3Q	0.8762
1029	2CZ	0.8762
1030	A65	0.8762
1031	J6W	0.8762
1032	275	0.8760
1033	BBF	0.8760
1034	XYL	0.8759
1035	RB5	0.8759
1036	AZF	0.8756
1037	4JM	0.8753
1038	SNU	0.8752
1039	ABE	0.8750
1040	M2H	0.8750
1041	PKU	0.8749
1042	2MN	0.8748
1043	14J	0.8748
1044	TVP	0.8745
1045	EV0	0.8745
1046	SKF	0.8744
1047	7MH	0.8743
1048	RIP	0.8743
1049	DFU	0.8743
1050	F3B	0.8743
1051	OXZ	0.8742
1052	URS	0.8741
1053	RD4	0.8740
1054	ZWZ	0.8740
1055	7MK	0.8736
1056	6OT	0.8735
1057	8NX	0.8733
1058	YRL	0.8733
1059	IBF	0.8732
1060	HLD	0.8732
1061	3QM	0.8730
1062	SS2	0.8730
1063	60P	0.8728
1064	HHH	0.8727
1065	N1E	0.8727
1066	FUD	0.8726
1067	2TQ	0.8725
1068	H76	0.8724
1069	2CL	0.8723
1070	3MG	0.8722
1071	SAF	0.8721
1072	F4E	0.8720
1073	TFU	0.8720
1074	TAG	0.8719
1075	AX3	0.8719
1076	GLU	0.8718
1077	OGA	0.8717
1078	DMJ	0.8716
1079	M3H	0.8716
1080	PPY	0.8716
1081	IWT	0.8715
1082	KIA	0.8714
1083	S24	0.8714
1084	AMG	0.8713
1085	ZZZ	0.8713
1086	R20	0.8712
1087	FUC	0.8710
1088	I3E	0.8709
1089	FQI	0.8708
1090	AKG	0.8707
1091	BDF	0.8706
1092	35C	0.8705
1093	RPQ	0.8705
1094	449	0.8705
1095	BNF	0.8705
1096	4NB	0.8705
1097	NGO	0.8702
1098	1A7	0.8701
1099	GTZ	0.8701
1100	2GS	0.8701
1101	1SA	0.8701
1102	TLA	0.8700
1103	7D2	0.8700
1104	QMP	0.8700
1105	S0E	0.8699
1106	URQ	0.8698
1107	FA6	0.8697
1108	IDH	0.8696
1109	GV9	0.8694
1110	3ZB	0.8694
1111	0MK	0.8693
1112	06B	0.8693
1113	7A2	0.8686
1114	EVF	0.8685
1115	86L	0.8681
1116	EMZ	0.8681
1117	PEP	0.8680
1118	H6B	0.8680
1119	FSW	0.8680
1120	4AV	0.8679
1121	ZB1	0.8679
1122	KBZ	0.8677
1123	GIF	0.8673
1124	OQC	0.8673
1125	PZM	0.8670
1126	49O	0.8670
1127	FBG	0.8670
1128	NLA	0.8670
1129	S76	0.8669
1130	JYT	0.8669
1131	3GQ	0.8669
1132	C9E	0.8669
1133	OXQ	0.8669
1134	ILE	0.8669
1135	SNO	0.8668
1136	GAG	0.8665
1137	MFB	0.8665
1138	2PG	0.8663
1139	XSP	0.8663
1140	1DV	0.8662
1141	MT5	0.8662
1142	LRH	0.8660
1143	HHI	0.8659
1144	4A5	0.8657
1145	1XA	0.8653
1146	1VK	0.8652
1147	GSY	0.8652
1148	2A7	0.8651
1149	IOS	0.8650
1150	GTL	0.8650
1151	QQQ	0.8650
1152	MT8	0.8647
1153	2FT	0.8646
1154	X0W	0.8646
1155	HDL	0.8645
1156	TBP	0.8642
1157	E7R	0.8641
1158	JZ9	0.8639
1159	39U	0.8639
1160	FPY	0.8639
1161	36Y	0.8638
1162	AGK	0.8636
1163	OK7	0.8633
1164	4P0	0.8629
1165	RBJ	0.8629
1166	GBD	0.8627
1167	GLO	0.8625
1168	FCA	0.8621
1169	1X7	0.8621
1170	2HG	0.8619
1171	7CT	0.8619
1172	5AC	0.8618
1173	2SX	0.8618
1174	260	0.8617
1175	SIF	0.8617
1176	152	0.8617
1177	ICT	0.8616
1178	GYP	0.8613
1179	V1T	0.8613
1180	3MA	0.8612
1181	ENL	0.8611
1182	67X	0.8610
1183	SD4	0.8608
1184	SF9	0.8605
1185	ZZ3	0.8601
1186	LPK	0.8597
1187	HBO	0.8597
1188	JKZ	0.8595
1189	GHM	0.8591
1190	EPR	0.8587
1191	2AS	0.8587
1192	QBM	0.8587
1193	SR1	0.8581
1194	HFA	0.8581
1195	TEO	0.8581
1196	GLN	0.8580
1197	0GZ	0.8576
1198	P84	0.8576
1199	XQK	0.8574
1200	SF6	0.8571
1201	S7J	0.8569
1202	I3C	0.8567
1203	HBX	0.8565
1204	BRV	0.8565
1205	FLC	0.8564
1206	LAO	0.8563
1207	FUF	0.8558
1208	P9E	0.8549
1209	A5E	0.8547
1210	MFU	0.8543
1211	3HP	0.8541
1212	A09	0.8536
1213	C1M	0.8529
1214	4I8	0.8525

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

Pocket No.: 1; Query (leader) PDB : 6FUL; Ligand: E7Z; Similar sites found with APoc: 2

This union binding pocket(no: 1) in the query (biounit: 6ful.bio1) has 24 residues
No:	Leader PDB	Ligand	Sequence Similarity
1	3OPT	AKG	7.23861
2	6IP0	AKG	17.3469

Pocket No.: 2; Query (leader) PDB : 6FUL; Ligand: PG0; 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: 6ful.bio1) has 6 residues
No:	Leader PDB	Ligand	Sequence Similarity

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