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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
5L2R	2.05 Å	EC: 4.2.1.2	CRYSTAL STRUCTURE OF FUMARATE HYDRATASE FROM LEISHMANIA MAJO	LEISHMANIA MAJOR	FUMARATE HYDRATASE FE-S CLUSTER LYASE
Ref.:	CRYSTAL STRUCTURE OF AN FE-S CLUSTER-CONTAINING FUM HYDRATASE ENZYME FROM LEISHMANIA MAJOR REVEALS A UN PROTEIN FOLD. PROC.NATL.ACAD.SCI.USA V. 113 9804 2016

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	Molecular Weight (Da)	Formula	SMILES
LMR	B:602; B:601; A:601; A:602;	Valid; Valid; Valid; Valid;	none; none; none; none;	ic50 = 9.8 mM	134.087	C4 H6 O5	C([C@...
MLA	B:603; A:604; B:604; A:603;	Valid; Valid; Valid; Valid;	none; none; none; none;	submit data	104.061	C3 H4 O4	C(C(=...
GOL	B:608; B:605; B:609; B:606; A:605; A:606; A:607; B:607;	Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid;	none; none; none; none; none; none; none; none;	submit data	92.094	C3 H8 O3	C(C(C...
SF4	B:611; A:608;	Part of Protein; Part of Protein;	none; none;	submit data	351.64	Fe4 S4	[S]12...
PEG	B:610;	Invalid;	none;	submit data	106.12	C4 H10 O3	C(COC...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
6MSN	1.59 Å	EC: 4.2.1.2	CRYSTAL STRUCTURE OF CYTOSOLIC FUMARATE HYDRATASE FROM LEISH MAJOR IN A COMPLEX WITH INHIBITOR THIOMALATE	LEISHMANIA MAJOR	INHIBITOR CYTOSOLIC FUMARATE HYDRATASE LYASE
Ref.:	CRYSTAL STRUCTURES OF FUMARATE HYDRATASES FROM LEIS MAJOR IN A COMPLEX WITH INHIBITOR 2-THIOMALATE. ACS CHEM. BIOL. V. 14 266 2019

Members (12)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 5 families.
1	6UQ8	-	MLA	C3 H4 O4	C(C(=O)O)C....
2	6UO0	-	LMR	C4 H6 O5	C([C@@H](C....
3	6UOJ	ic50 = 33.7 mM	SIN	C4 H6 O4	C(CC(=O)O)....
4	5L2R	ic50 = 9.8 mM	LMR	C4 H6 O5	C([C@@H](C....
5	6UQB	-	LMR	C4 H6 O5	C([C@@H](C....
6	6MSN	Ki = 8.9 uM	JYD	C4 H6 O4 S	C([C@@H](C....
7	6UQM	-	LMR	C4 H6 O5	C([C@@H](C....
8	6UQ9	-	LMR	C4 H6 O5	C([C@@H](C....
9	6UP9	-	MLA	C3 H4 O4	C(C(=O)O)C....
10	6UOI	ic50 = 5.6 mM	MLA	C3 H4 O4	C(C(=O)O)C....
11	6UQL	-	LMR	C4 H6 O5	C([C@@H](C....
12	6UPM	-	LMR	C4 H6 O5	C([C@@H](C....

70% Homology Family (13)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 3 families.
1	6UQ8	-	MLA	C3 H4 O4	C(C(=O)O)C....
2	6UO0	-	LMR	C4 H6 O5	C([C@@H](C....
3	6UOJ	ic50 = 33.7 mM	SIN	C4 H6 O4	C(CC(=O)O)....
4	5L2R	ic50 = 9.8 mM	LMR	C4 H6 O5	C([C@@H](C....
5	6UQB	-	LMR	C4 H6 O5	C([C@@H](C....
6	6MSN	Ki = 8.9 uM	JYD	C4 H6 O4 S	C([C@@H](C....
7	6UQM	-	LMR	C4 H6 O5	C([C@@H](C....
8	6UQ9	-	LMR	C4 H6 O5	C([C@@H](C....
9	6UP9	-	MLA	C3 H4 O4	C(C(=O)O)C....
10	6UOI	ic50 = 5.6 mM	MLA	C3 H4 O4	C(C(=O)O)C....
11	6UQL	-	LMR	C4 H6 O5	C([C@@H](C....
12	6UPM	-	LMR	C4 H6 O5	C([C@@H](C....
13	6MSO	Ki = 3 uM	JYD	C4 H6 O4 S	C([C@@H](C....

50% Homology Family (13)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 2 families.
1	6UQ8	-	MLA	C3 H4 O4	C(C(=O)O)C....
2	6UO0	-	LMR	C4 H6 O5	C([C@@H](C....
3	6UOJ	ic50 = 33.7 mM	SIN	C4 H6 O4	C(CC(=O)O)....
4	5L2R	ic50 = 9.8 mM	LMR	C4 H6 O5	C([C@@H](C....
5	6UQB	-	LMR	C4 H6 O5	C([C@@H](C....
6	6MSN	Ki = 8.9 uM	JYD	C4 H6 O4 S	C([C@@H](C....
7	6UQM	-	LMR	C4 H6 O5	C([C@@H](C....
8	6UQ9	-	LMR	C4 H6 O5	C([C@@H](C....
9	6UP9	-	MLA	C3 H4 O4	C(C(=O)O)C....
10	6UOI	ic50 = 5.6 mM	MLA	C3 H4 O4	C(C(=O)O)C....
11	6UQL	-	LMR	C4 H6 O5	C([C@@H](C....
12	6UPM	-	LMR	C4 H6 O5	C([C@@H](C....
13	6MSO	Ki = 3 uM	JYD	C4 H6 O4 S	C([C@@H](C....

Polypharmacology

Similar Ligands (2D)

Ligand no: 1; Ligand: LMR; Similar ligands found: 12

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	LMR	1	1
2	MLT	1	1
3	3HG	0.52381	0.761905
4	DGY	0.52381	0.818182
5	3HL	0.5	0.666667
6	3HR	0.5	0.666667
7	TRC	0.478261	0.666667
8	2HG	0.461538	0.809524
9	S2G	0.461538	0.809524
10	JYD	0.458333	0.761905
11	2RH	0.458333	0.652174
12	ICT	0.444444	0.904762

Ligand no: 2; Ligand: MLA; Similar ligands found: 8

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	MLA	1	1
2	AAE	0.6	0.631579
3	6JN	0.6	0.789474
4	3OH	0.533333	0.619048
5	SIN	0.5	0.722222
6	98J	0.428571	0.608696
7	GUA	0.411765	0.65
8	0L1	0.411765	0.619048

Similar Ligands (3D)

Ligand no: 1; Ligand: LMR; Similar ligands found: 1411

No:	Ligand	Similarity coefficient
1	ASN	1.0000
2	ASP	1.0000
3	LEU	1.0000
4	OAA	1.0000
5	THR	1.0000
6	MLI	1.0000
7	2KT	1.0000
8	CMS	0.9993
9	CRN	0.9984
10	DYA	0.9972
11	IOM	0.9943
12	UGC	0.9932
13	COI	0.9919
14	TEO	0.9903
15	TAR	0.9859
16	40E	0.9818
17	ITN	0.9780
18	HSE	0.9770
19	DAS	0.9767
20	SIN	0.9760
21	FUM	0.9754
22	CIZ	0.9747
23	GLU	0.9710
24	AHB	0.9709
25	AL0	0.9686
26	PZI	0.9683
27	SRT	0.9665
28	DAB	0.9655
29	NXA	0.9647
30	98J	0.9644
31	NMG	0.9642
32	NVA	0.9637
33	SHF	0.9632
34	GUA	0.9626
35	HL5	0.9622
36	BEN	0.9600
37	2AS	0.9599
38	MAE	0.9597
39	H95	0.9596
40	BAM	0.9594
41	LNO	0.9587
42	PBC	0.9586
43	HX2	0.9585
44	AC5	0.9584
45	3SL	0.9583
46	DCL	0.9576
47	GAB	0.9569
48	BEZ	0.9566
49	2CO	0.9565
50	NCA	0.9565
51	PEP	0.9561
52	SD4	0.9561
53	VKC	0.9560
54	6PC	0.9560
55	9YL	0.9558
56	WTZ	0.9557
57	AC0	0.9555
58	ISZ	0.9554
59	AKG	0.9553
60	MLE	0.9553
61	THE	0.9551
62	URP	0.9549
63	3NT	0.9549
64	PZA	0.9549
65	HDA	0.9547
66	7N0	0.9543
67	HYP	0.9543
68	ONL	0.9538
69	PLU	0.9535
70	OK7	0.9532
71	DPR	0.9531
72	ICF	0.9531
73	KMH	0.9530
74	9X7	0.9529
75	OEG	0.9529
76	NTN	0.9529
77	UNU	0.9528
78	PRO	0.9527
79	NIO	0.9525
80	CFI	0.9521
81	TLA	0.9518
82	PPR	0.9516
83	0VT	0.9516
84	HCS	0.9514
85	PCA	0.9514
86	VAH	0.9513
87	IHG	0.9513
88	4MV	0.9511
89	SS2	0.9508
90	VGL	0.9508
91	DXX	0.9507
92	ORN	0.9505
93	QSC	0.9505
94	NLE	0.9504
95	VAL	0.9495
96	BNS	0.9492
97	PEQ	0.9491
98	0V5	0.9491
99	TFB	0.9490
100	PHB	0.9489
101	NPO	0.9485
102	2IT	0.9479
103	SPA	0.9479
104	SKG	0.9478
105	54D	0.9478
106	GGL	0.9476
107	DQY	0.9475
108	WBU	0.9473
109	53C	0.9470
110	HIO	0.9469
111	OVV	0.9467
112	PGH	0.9466
113	3HB	0.9466
114	NIZ	0.9464
115	NBZ	0.9464
116	69O	0.9459
117	QFH	0.9459
118	T2C	0.9457
119	TP5	0.9457
120	SHO	0.9456
121	FBM	0.9455
122	6JN	0.9449
123	SPV	0.9449
124	YCP	0.9448
125	BHO	0.9448
126	MET	0.9448
127	GZ3	0.9447
128	FQI	0.9447
129	PG3	0.9445
130	3AB	0.9445
131	192	0.9442
132	PAB	0.9441
133	PGA	0.9436
134	2MH	0.9436
135	UY7	0.9435
136	3OC	0.9430
137	ILE	0.9426
138	IZC	0.9426
139	AKB	0.9422
140	DAV	0.9422
141	9X6	0.9422
142	HZP	0.9421
143	TIU	0.9420
144	HBA	0.9419
145	M58	0.9417
146	TZC	0.9416
147	UYA	0.9414
148	MUC	0.9410
149	URF	0.9410
150	4CS	0.9408
151	WCE	0.9407
152	R67	0.9403
153	GLN	0.9403
154	SMV	0.9403
155	5HN	0.9402
156	BP9	0.9402
157	ZGL	0.9400
158	8GC	0.9399
159	RSO	0.9397
160	C21	0.9395
161	HTX	0.9393
162	GBD	0.9393
163	PBZ	0.9392
164	5AC	0.9388
165	273	0.9385
166	GLY ALA	0.9383
167	3BZ	0.9383
168	49F	0.9382
169	9ON	0.9381
170	JZ5	0.9381
171	FPI	0.9381
172	IQ0	0.9380
173	DGN	0.9376
174	NBE	0.9376
175	HY3	0.9374
176	DEN	0.9374
177	ABN	0.9373
178	HBX	0.9373
179	6NA	0.9372
180	BZX	0.9371
181	TDR	0.9370
182	SYN	0.9369
183	I1E	0.9369
184	DGL	0.9368
185	X1S	0.9368
186	GJZ	0.9368
187	SS1	0.9367
188	OEM	0.9366
189	PHU	0.9366
190	DHB	0.9365
191	OKG	0.9364
192	2PC	0.9362
193	9TY	0.9362
194	MAK	0.9362
195	DAL DAL	0.9360
196	1MC	0.9360
197	CSS	0.9359
198	DE5	0.9359
199	BE7	0.9356
200	CXF	0.9356
201	M6W	0.9355
202	S0H	0.9351
203	ZBT	0.9350
204	MCT	0.9347
205	HBD	0.9346
206	INO	0.9346
207	OXQ	0.9345
208	F9P	0.9340
209	PYD	0.9340
210	4JU	0.9339
211	ALO	0.9337
212	HSO	0.9337
213	AC6	0.9337
214	KIV	0.9336
215	23B	0.9335
216	4NC	0.9334
217	3PP	0.9333
218	5OB	0.9333
219	FEH	0.9332
220	BML	0.9332
221	F60	0.9330
222	TZE	0.9329
223	FOA	0.9328
224	FOC	0.9327
225	GAG	0.9327
226	BRT	0.9323
227	OGA	0.9323
228	MWM	0.9322
229	3U4	0.9322
230	MRZ	0.9321
231	5H1	0.9320
232	4HO	0.9319
233	51F	0.9319
234	1P3	0.9318
235	AMC	0.9318
236	3S5	0.9316
237	1Y6	0.9316
238	EDG	0.9315
239	2DR	0.9314
240	4ZE	0.9314
241	FAN	0.9313
242	XRG	0.9313
243	P72	0.9312
244	JZ7	0.9311
245	HYA	0.9311
246	K34	0.9311
247	7WG	0.9310
248	ICP	0.9310
249	6AI	0.9310
250	2AC	0.9308
251	2MP	0.9308
252	SAL	0.9308
253	PRS	0.9306
254	SC2	0.9306
255	BE2	0.9306
256	PYC	0.9305
257	PY7	0.9304
258	275	0.9304
259	M4T	0.9303
260	1PT	0.9302
261	QY9	0.9300
262	826	0.9300
263	14O	0.9300
264	IDM	0.9299
265	LZ1	0.9299
266	Z82	0.9299
267	ABU	0.9298
268	1GP	0.9297
269	CCE	0.9297
270	34A	0.9297
271	BZ3	0.9297
272	XYD	0.9296
273	5HY	0.9295
274	LEA	0.9295
275	14J	0.9294
276	PAC	0.9293
277	URQ	0.9292
278	HY1	0.9290
279	4CH	0.9290
280	60P	0.9289
281	RIB	0.9289
282	APY	0.9287
283	TPA	0.9287
284	ACH	0.9286
285	FBJ	0.9286
286	GOJ	0.9286
287	ICC	0.9285
288	A1U	0.9284
289	TZL	0.9282
290	K6V	0.9282
291	PYJ	0.9282
292	SSN	0.9281
293	HDH	0.9280
294	5UC	0.9280
295	XBZ	0.9280
296	5MB	0.9280
297	ECE	0.9279
298	JAE	0.9279
299	VNJ	0.9276
300	JBN	0.9276
301	GP9	0.9275
302	MZW	0.9275
303	2FT	0.9272
304	PMB	0.9271
305	93K	0.9271
306	4MA	0.9269
307	R9S	0.9269
308	KMT	0.9267
309	HPA	0.9266
310	5FX	0.9265
311	3SK	0.9265
312	0R1	0.9264
313	P9P	0.9264
314	1MR	0.9263
315	PAE	0.9262
316	SMN	0.9262
317	PEA	0.9262
318	4P5	0.9261
319	2K4	0.9260
320	4VP	0.9259
321	HSM	0.9258
322	IND	0.9257
323	SW7	0.9256
324	23W	0.9255
325	FBA	0.9255
326	IFL	0.9254
327	HMH	0.9253
328	XYP	0.9252
329	2HO	0.9252
330	HIS	0.9252
331	LTL	0.9251
332	B24	0.9251
333	4XR	0.9250
334	J9T	0.9249
335	R8A	0.9249
336	7VD	0.9248
337	IXW	0.9245
338	BZF	0.9245
339	FB2	0.9244
340	TH0	0.9244
341	43M	0.9244
342	717	0.9243
343	GVH	0.9240
344	5MI	0.9240
345	G3H	0.9239
346	G3P	0.9239
347	BZI	0.9238
348	4CL	0.9238
349	GLY GLY	0.9237
350	XM0	0.9237
351	FPY	0.9236
352	JKE	0.9236
353	MPI	0.9236
354	PLQ	0.9236
355	MRY	0.9234
356	9TW	0.9234
357	GTQ	0.9234
358	8EW	0.9233
359	MYJ	0.9233
360	FHB	0.9232
361	PG0	0.9232
362	MNN	0.9232
363	SHA	0.9231
364	LXC	0.9231
365	JZ9	0.9230
366	FPN	0.9230
367	FP1	0.9229
368	DHS	0.9226
369	4JJ	0.9226
370	5RG	0.9225
371	XYL	0.9223
372	RB5	0.9223
373	RB0	0.9223
374	4A3	0.9222
375	LDU	0.9222
376	IP0	0.9221
377	QSB	0.9221
378	MEV	0.9220
379	JZ2	0.9220
380	ES6	0.9220
381	ROR	0.9219
382	2PG	0.9219
383	XSP	0.9219
384	MPD	0.9219
385	NNO	0.9217
386	5MH	0.9217
387	KOJ	0.9216
388	265	0.9216
389	1DJ	0.9216
390	XBT	0.9215
391	URO	0.9215
392	4JL	0.9214
393	XLS	0.9213
394	XX2	0.9213
395	PRI	0.9213
396	PBE	0.9212
397	7A8	0.9212
398	LLQ	0.9212
399	HQE	0.9210
400	2YU	0.9210
401	XUL	0.9210
402	069	0.9207
403	4ZA	0.9206
404	MZG	0.9205
405	TM7	0.9204
406	QDK	0.9201
407	DS0	0.9200
408	173	0.9200
409	HT4	0.9200
410	8OZ	0.9199
411	0MK	0.9198
412	PEL	0.9198
413	51R	0.9197
414	K6H	0.9196
415	FW5	0.9196
416	CHB	0.9194
417	NMJ	0.9193
418	OSE	0.9192
419	URA	0.9192
420	3PY	0.9191
421	0CT	0.9190
422	RSF	0.9190
423	JLZ	0.9188
424	EHM	0.9187
425	FYU	0.9185
426	PKU	0.9185
427	1WD	0.9184
428	F05	0.9183
429	1AB	0.9182
430	GLO	0.9182
431	C2B	0.9181
432	ADE	0.9180
433	SAN	0.9179
434	DTL	0.9179
435	TH7	0.9178
436	JZ1	0.9177
437	45L	0.9177
438	DFB	0.9177
439	54G	0.9177
440	TMH	0.9176
441	13P	0.9176
442	OVM	0.9176
443	R2B	0.9175
444	RNS	0.9175
445	ACA	0.9175
446	1DV	0.9175
447	282	0.9174
448	DYT	0.9173
449	AHR	0.9173
450	PYF	0.9173
451	4JT	0.9170
452	COU	0.9170
453	G4D	0.9170
454	DA1	0.9170
455	129	0.9167
456	1KA	0.9167
457	FBW	0.9167
458	5XB	0.9166
459	268	0.9166
460	0OC	0.9165
461	174	0.9165
462	FLA	0.9164
463	4LR	0.9164
464	4JO	0.9163
465	O8Y	0.9162
466	N6C	0.9162
467	4WL	0.9162
468	284	0.9162
469	RBL	0.9161
470	IHB	0.9161
471	8EZ	0.9160
472	1SP	0.9160
473	11S	0.9160
474	PCR	0.9160
475	ES9	0.9160
476	PXY	0.9160
477	HMU	0.9158
478	27Y	0.9158
479	SGL	0.9157
480	2AL	0.9157
481	CP	0.9157
482	3HM	0.9157
483	24B	0.9154
484	5M0	0.9154
485	IT2	0.9153
486	4SV	0.9153
487	ALA ALA	0.9153
488	2TQ	0.9153
489	1DU	0.9152
490	271	0.9152
491	MTL	0.9151
492	286	0.9151
493	S8V	0.9151
494	449	0.9150
495	10L	0.9150
496	BR9	0.9150
497	PAF	0.9150
498	I4B	0.9149
499	HX3	0.9149
500	8H8	0.9148
501	RHU	0.9148
502	5XC	0.9147
503	MXN	0.9146
504	JB5	0.9145
505	GG6	0.9145
506	SNE	0.9144
507	FCR	0.9144
508	4JM	0.9144
509	TSU	0.9142
510	JZ3	0.9141
511	OXZ	0.9140
512	6M9	0.9140
513	2AQ	0.9140
514	SER	0.9140
515	5CU	0.9139
516	G2F	0.9138
517	MYQ	0.9138
518	3MB	0.9137
519	0TR	0.9137
520	IP8	0.9136
521	9CL	0.9136
522	IFP	0.9136
523	3AL	0.9135
524	NK	0.9135
525	X0V	0.9134
526	5JC	0.9134
527	DSN	0.9134
528	DBB	0.9133
529	3V4	0.9132
530	7WA	0.9132
531	GPJ	0.9131
532	GPF	0.9131
533	FBS	0.9131
534	T6C	0.9131
535	7BC	0.9130
536	7WV	0.9130
537	FK1	0.9130
538	ZZT	0.9130
539	03V	0.9130
540	LG4	0.9130
541	4JP	0.9130
542	25R	0.9130
543	KVP	0.9129
544	DOB	0.9129
545	OHG	0.9127
546	J1Z	0.9127
547	SME	0.9126
548	MWJ	0.9125
549	OCH	0.9124
550	F81	0.9122
551	261	0.9121
552	BTE	0.9121
553	ABV	0.9120
554	270	0.9120
555	ES5	0.9119
556	GLC	0.9119
557	C2A	0.9119
558	GRO	0.9118
559	IUR	0.9118
560	7HP	0.9118
561	HGA	0.9117
562	OPE	0.9117
563	FUL	0.9117
564	FUB	0.9116
565	1DQ	0.9116
566	MLA	0.9115
567	MSE	0.9114
568	3LR	0.9114
569	ASO	0.9114
570	8GL	0.9113
571	MEQ	0.9111
572	SKJ	0.9111
573	KPL	0.9111
574	5NU	0.9111
575	FSG	0.9110
576	AX7	0.9110
577	26D	0.9107
578	LER	0.9106
579	RMN	0.9105
580	K7M	0.9105
581	DFU	0.9104
582	9TZ	0.9104
583	3YP	0.9103
584	7MU	0.9103
585	GLL	0.9103
586	RNT	0.9102
587	ABE	0.9102
588	CYS	0.9102
589	4FS	0.9100
590	DBH	0.9100
591	FB1	0.9100
592	NOY	0.9098
593	EKZ	0.9097
594	NOJ	0.9097
595	280	0.9095
596	NSP	0.9095
597	FA0	0.9095
598	BP1	0.9094
599	CYX	0.9093
600	GYE	0.9093
601	3ID	0.9093
602	R1X	0.9093
603	ABA	0.9093
604	40O	0.9092
605	DE2	0.9091
606	MR1	0.9091
607	285	0.9090
608	BSX	0.9090
609	9DA	0.9090
610	1P7	0.9090
611	RIP	0.9089
612	4SD	0.9088
613	KYD	0.9088
614	I3A	0.9088
615	H42	0.9087
616	NFQ	0.9086
617	H4N	0.9086
618	CEJ	0.9086
619	16D	0.9085
620	M3H	0.9084
621	PAH	0.9084
622	I2M	0.9084
623	IFM	0.9083
624	2LP	0.9083
625	HHA	0.9083
626	HUI	0.9082
627	MED	0.9082
628	9HX	0.9082
629	TLD	0.9080
630	3HA	0.9080
631	XCZ	0.9079
632	FPK	0.9078
633	4J8	0.9078
634	9DG	0.9077
635	03W	0.9077
636	278	0.9076
637	DMD	0.9075
638	AMS	0.9075
639	AAS	0.9075
640	SJ5	0.9074
641	Q88	0.9074
642	BUB	0.9072
643	PEZ	0.9071
644	23A	0.9071
645	3XX	0.9071
646	6MP	0.9071
647	FCA	0.9071
648	FBV	0.9071
649	2RA	0.9070
650	AG2	0.9070
651	LCN	0.9070
652	JAB	0.9070
653	XYS	0.9069
654	OW4	0.9069
655	JBE	0.9068
656	JIF	0.9068
657	HE2	0.9067
658	64K	0.9067
659	HHI	0.9066
660	IPH	0.9066
661	CNL	0.9065
662	3BU	0.9065
663	2XX	0.9064
664	NYL	0.9064
665	XAN	0.9064
666	H3M	0.9063
667	2MI	0.9063
668	CXL	0.9062
669	1SA	0.9061
670	34V	0.9061
671	FCN	0.9061
672	IDH	0.9061
673	M1A	0.9060
674	67N	0.9060
675	32O	0.9057
676	GLY CYS	0.9057
677	CAQ	0.9057
678	IVA	0.9056
679	SEP	0.9055
680	EOU	0.9055
681	URS	0.9054
682	8NY	0.9054
683	4DX	0.9051
684	FBB	0.9051
685	GLA	0.9051
686	GUN	0.9051
687	L3Q	0.9050
688	6M4	0.9050
689	OHP	0.9049
690	258	0.9049
691	BHA	0.9049
692	SMB	0.9048
693	BHH	0.9048
694	DMV	0.9047
695	4RW	0.9047
696	AZF	0.9047
697	XIY	0.9046
698	SYM	0.9045
699	FUF	0.9045
700	J9N	0.9044
701	2CK	0.9044
702	3NY	0.9044
703	6NT	0.9043
704	SVJ	0.9043
705	DOR	0.9042
706	K2T	0.9040
707	SOL	0.9039
708	TAG	0.9037
709	ASC	0.9035
710	AT3	0.9035
711	1DW	0.9033
712	SOR	0.9033
713	4FH	0.9032
714	0R0	0.9031
715	FUD	0.9030
716	RUU	0.9030
717	NPY	0.9030
718	QUZ	0.9030
719	PM6	0.9030
720	BVC	0.9030
721	9J3	0.9029
722	SWD	0.9029
723	FUC	0.9029
724	I38	0.9028
725	R9M	0.9026
726	DPF	0.9025
727	PCT	0.9025
728	3ZQ	0.9025
729	J9Q	0.9025
730	M45	0.9024
731	LNR	0.9024
732	9RW	0.9023
733	4M0	0.9023
734	DHI	0.9022
735	PIY	0.9022
736	H8N	0.9022
737	SYC	0.9022
738	1CO	0.9021
739	3PG	0.9021
740	HGQ	0.9021
741	152	0.9020
742	RUJ	0.9020
743	SEJ	0.9020
744	4HS	0.9020
745	5B1	0.9020
746	5WV	0.9020
747	2ZM	0.9019
748	T9G	0.9019
749	7CZ	0.9018
750	IMR	0.9018
751	8K2	0.9017
752	PIM	0.9017
753	CYH	0.9016
754	CEE	0.9014
755	ET2	0.9014
756	RAT	0.9012
757	OTR	0.9012
758	ES4	0.9012
759	6CS	0.9012
760	ES7	0.9011
761	HPY	0.9010
762	0RW	0.9010
763	LPK	0.9009
764	HAI	0.9009
765	YHO	0.9008
766	DGJ	0.9007
767	5NI	0.9007
768	A20	0.9006
769	TB6	0.9006
770	7MH	0.9005
771	0HO	0.9005
772	N8P	0.9005
773	SAT	0.9004
774	1SH	0.9004
775	2A9	0.9004
776	4FA	0.9004
777	IT9	0.9002
778	CRS	0.9002
779	YRL	0.9002
780	3M0	0.9002
781	GAL	0.9001
782	PPV	0.9001
783	PSE	0.9000
784	SX1	0.8999
785	N4B	0.8999
786	4SX	0.8998
787	39J	0.8997
788	2HU	0.8996
789	LFC	0.8995
790	6NI	0.8995
791	0HN	0.8995
792	Y8I	0.8995
793	ABI	0.8995
794	MPJ	0.8993
795	97T	0.8993
796	ICN	0.8992
797	2PN	0.8991
798	9EW	0.8991
799	RCO	0.8990
800	4JN	0.8990
801	DIR	0.8989
802	KG7	0.8988
803	NVI	0.8987
804	FAC	0.8986
805	Z6J	0.8986
806	L99	0.8986
807	DUC	0.8985
808	DHR	0.8985
809	CDV	0.8984
810	N7P	0.8984
811	JFJ	0.8984
812	RM1	0.8983
813	POP	0.8983
814	HPV	0.8982
815	IPU	0.8982
816	4HM	0.8981
817	EA1	0.8980
818	PIS	0.8980
819	3F0	0.8980
820	6UA	0.8979
821	IF7	0.8978
822	ES0	0.8978
823	HPS	0.8976
824	S76	0.8976
825	G2H	0.8975
826	DMG	0.8975
827	HH5	0.8975
828	BDR	0.8974
829	1LN	0.8974
830	GAF	0.8973
831	JAW	0.8971
832	ISN	0.8971
833	PA1	0.8971
834	A3B	0.8970
835	5MK	0.8970
836	OAF	0.8969
837	AZA	0.8969
838	3A9	0.8968
839	B85	0.8968
840	AAE	0.8968
841	QMP	0.8967
842	1F1	0.8967
843	HLR	0.8967
844	ARB	0.8965
845	A8C	0.8964
846	HVQ	0.8964
847	CYT	0.8963
848	3RK	0.8963
849	LG3	0.8962
850	AEF	0.8961
851	TMZ	0.8961
852	LDP	0.8961
853	4JQ	0.8961
854	KKN	0.8960
855	CWM	0.8960
856	92Z	0.8959
857	VGD	0.8958
858	HCI	0.8958
859	QOS	0.8957
860	MFB	0.8957
861	NM2	0.8954
862	NM3	0.8954
863	36R	0.8954
864	BNF	0.8953
865	5RN	0.8952
866	GIF	0.8950
867	3CH	0.8950
868	LT2	0.8950
869	BGC	0.8949
870	TIH	0.8948
871	PRA	0.8945
872	P2D	0.8944
873	BVF	0.8944
874	1WG	0.8944
875	GOO	0.8944
876	B53	0.8944
877	A2Q	0.8944
878	MD0	0.8943
879	47J	0.8942
880	NF3	0.8942
881	RBJ	0.8941
882	JZ4	0.8940
883	CLW	0.8940
884	52C	0.8940
885	1AN	0.8940
886	4YO	0.8940
887	HIU	0.8939
888	ES2	0.8938
889	AGK	0.8937
890	A09	0.8937
891	35C	0.8937
892	E5X	0.8936
893	PYG	0.8934
894	PRY	0.8933
895	8LG	0.8933
896	NLP	0.8932
897	CFP	0.8932
898	MAH	0.8931
899	MLM	0.8930
900	NCT	0.8930
901	F9Y	0.8930
902	A2F	0.8930
903	6AP	0.8929
904	25T	0.8929
905	IOL	0.8929
906	TYL	0.8929
907	OVP	0.8928
908	CCD	0.8926
909	FP2	0.8926
910	CHT	0.8926
911	IPB	0.8925
912	264	0.8923
913	6F0	0.8922
914	RP7	0.8921
915	GLF	0.8921
916	BTL	0.8921
917	BEW	0.8921
918	FA1	0.8919
919	LG5	0.8918
920	141	0.8918
921	1LQ	0.8918
922	F4E	0.8917
923	P3K	0.8916
924	FE DB1	0.8915
925	N2Z	0.8915
926	L89	0.8915
927	3Z8	0.8915
928	VNL	0.8914
929	XQ0	0.8914
930	A3M	0.8914
931	OXE	0.8914
932	C5J	0.8914
933	JZ0	0.8912
934	2IM	0.8912
935	HV2	0.8912
936	2HQ	0.8910
937	2AF	0.8909
938	8GF	0.8908
939	SWA	0.8907
940	PSJ	0.8906
941	3QM	0.8906
942	O7U	0.8904
943	P92	0.8904
944	SYG	0.8904
945	2D0	0.8903
946	DCY	0.8903
947	TBP	0.8903
948	PO6	0.8901
949	PZM	0.8901
950	X6X	0.8901
951	MZ0	0.8901
952	H76	0.8900
953	WOT	0.8900
954	2BG	0.8900
955	269	0.8899
956	DHK	0.8897
957	3MC	0.8897
958	V55	0.8895
959	JBK	0.8894
960	EYK	0.8894
961	PMF	0.8894
962	HQJ	0.8893
963	MNM	0.8893
964	3HP	0.8893
965	LYS	0.8893
966	GVM	0.8892
967	DX4	0.8892
968	IGA	0.8892
969	1P8	0.8891
970	CXP	0.8890
971	AZG	0.8890
972	SVD	0.8890
973	SVN	0.8890
974	ODV	0.8889
975	JFD	0.8887
976	1SQ	0.8886
977	7UC	0.8884
978	B40	0.8884
979	KTA	0.8884
980	4PW	0.8884
981	MBD	0.8882
982	290	0.8880
983	7W4	0.8880
984	86J	0.8880
985	MS9	0.8880
986	3PF	0.8878
987	NCM	0.8878
988	DPJ	0.8877
989	CAM	0.8876
990	GBN	0.8876
991	ORO	0.8876
992	APG	0.8876
993	ZXD	0.8876
994	D48	0.8875
995	QWN	0.8875
996	RM4	0.8874
997	O72	0.8874
998	FLM	0.8874
999	F31	0.8873
1000	5IQ	0.8873
1001	93Q	0.8873
1002	NEQ	0.8872
1003	4H2	0.8872
1004	3OL	0.8871
1005	JBH	0.8871
1006	GIV	0.8871
1007	3DM	0.8871
1008	N5J	0.8870
1009	DMJ	0.8869
1010	150	0.8869
1011	DLY	0.8866
1012	TNE	0.8866
1013	ANN	0.8866
1014	G3E	0.8865
1015	HQY	0.8865
1016	1LM	0.8863
1017	HRZ	0.8862
1018	8WO	0.8862
1019	1NP	0.8861
1020	PTO	0.8861
1021	FK8	0.8860
1022	2CH	0.8860
1023	6GU	0.8859
1024	2A7	0.8859
1025	EDR	0.8858
1026	76X	0.8858
1027	JA8	0.8857
1028	5SG	0.8856
1029	5Q0	0.8856
1030	C2N	0.8854
1031	MBN	0.8854
1032	EXO	0.8854
1033	ISD	0.8852
1034	L5V	0.8851
1035	5VM	0.8850
1036	911	0.8850
1037	25W	0.8850
1038	4YS	0.8849
1039	MWP	0.8848
1040	1AL	0.8847
1041	DBX	0.8847
1042	KBB	0.8845
1043	JB8	0.8845
1044	R8S	0.8845
1045	PNZ	0.8845
1046	ES1	0.8844
1047	BDP	0.8844
1048	9PO	0.8843
1049	V1L	0.8843
1050	2FY	0.8842
1051	1XX	0.8841
1052	94B	0.8840
1053	KJU	0.8840
1054	SE2	0.8839
1055	MDN	0.8839
1056	4AP	0.8839
1057	GXE	0.8839
1058	ODO	0.8839
1059	JPZ	0.8837
1060	3AP	0.8837
1061	JDN	0.8836
1062	5QY	0.8836
1063	QXW	0.8835
1064	1XM	0.8835
1065	MZT	0.8834
1066	CN0	0.8834
1067	YH7	0.8833
1068	0CU	0.8833
1069	ICO	0.8833
1070	J5I	0.8831
1071	XPO	0.8831
1072	2AP	0.8831
1073	42J	0.8830
1074	2FG	0.8829
1075	A29	0.8826
1076	95Z	0.8826
1077	HTS	0.8826
1078	AMH	0.8824
1079	3FH	0.8824
1080	GVG	0.8824
1081	R8V	0.8823
1082	1DH	0.8823
1083	4XH	0.8823
1084	CIT	0.8823
1085	PUT	0.8823
1086	HBU	0.8822
1087	4M4	0.8822
1088	EUG	0.8822
1089	7HQ	0.8821
1090	HVK	0.8820
1091	URC	0.8820
1092	2CQ	0.8820
1093	EV0	0.8820
1094	M1E	0.8818
1095	GXL	0.8817
1096	MAN	0.8817
1097	3SS	0.8816
1098	BVG	0.8815
1099	BDF	0.8815
1100	PE9	0.8815
1101	KUF	0.8814
1102	7EX	0.8814
1103	6HQ	0.8813
1104	MPH	0.8811
1105	1M2	0.8811
1106	L60	0.8810
1107	BR8	0.8809
1108	4XX	0.8809
1109	2EZ	0.8808
1110	PBA	0.8807
1111	M2H	0.8807
1112	Q02	0.8807
1113	FCB	0.8807
1114	K5W	0.8806
1115	24W	0.8805
1116	TMT	0.8805
1117	3MH	0.8805
1118	LRH	0.8804
1119	PC	0.8804
1120	FJO	0.8802
1121	J0Z	0.8802
1122	HYN	0.8801
1123	LYL	0.8800
1124	93B	0.8800
1125	MQN	0.8800
1126	AHN	0.8799
1127	TAU	0.8799
1128	2C9	0.8799
1129	24T	0.8798
1130	WOO	0.8798
1131	4NM	0.8797
1132	D1X	0.8797
1133	92K	0.8796
1134	4NG	0.8795
1135	XXR	0.8794
1136	E7Z	0.8793
1137	8CL	0.8793
1138	CIG	0.8793
1139	R20	0.8791
1140	SN4	0.8790
1141	13X	0.8790
1142	BOA	0.8790
1143	GCS	0.8789
1144	C5A	0.8788
1145	RJY	0.8788
1146	6TZ	0.8788
1147	HC4	0.8787
1148	AUD	0.8787
1149	SYV	0.8787
1150	XAP	0.8785
1151	CCU	0.8785
1152	4P0	0.8785
1153	12M	0.8784
1154	DTU	0.8784
1155	FFP	0.8781
1156	N2I	0.8781
1157	CWS	0.8780
1158	6M1	0.8780
1159	GZL	0.8779
1160	3FA	0.8779
1161	938	0.8779
1162	2CL	0.8778
1163	GMN	0.8777
1164	2MY	0.8777
1165	5QX	0.8775
1166	ARA	0.8774
1167	ZZ3	0.8774
1168	34D	0.8773
1169	AFR	0.8771
1170	1AC	0.8771
1171	TTL	0.8771
1172	RAM	0.8770
1173	PHE	0.8769
1174	3CE	0.8769
1175	45C	0.8767
1176	ARW	0.8767
1177	PD2	0.8766
1178	AX2	0.8765
1179	G8M	0.8764
1180	8X3	0.8764
1181	WDL	0.8763
1182	BNL	0.8763
1183	G3F	0.8762
1184	4HA	0.8761
1185	GRE	0.8761
1186	HHH	0.8761
1187	6RQ	0.8760
1188	BTY	0.8760
1189	0TU	0.8760
1190	DCD	0.8760
1191	SAF	0.8759
1192	ETX	0.8758
1193	AW5	0.8758
1194	4Z4	0.8757
1195	BPN	0.8757
1196	M3T	0.8757
1197	KBG	0.8757
1198	QSH	0.8757
1199	BHU	0.8755
1200	BAE	0.8754
1201	9FL	0.8752
1202	2HE	0.8751
1203	23J	0.8750
1204	TFS	0.8750
1205	B3R	0.8750
1206	POA	0.8749
1207	LGA	0.8749
1208	MSR	0.8748
1209	SOE	0.8747
1210	HH8	0.8747
1211	YIO	0.8747
1212	GIO	0.8747
1213	JF6	0.8746
1214	YAN	0.8746
1215	TGX	0.8746
1216	2F6	0.8745
1217	PRZ	0.8745
1218	OXC	0.8745
1219	IWT	0.8744
1220	J9W	0.8744
1221	F0J	0.8743
1222	8TX	0.8743
1223	KVV	0.8742
1224	3AY	0.8741
1225	4AA	0.8741
1226	3Z7	0.8740
1227	ALL	0.8740
1228	4HC	0.8740
1229	7B4	0.8739
1230	BCP	0.8738
1231	1GN	0.8738
1232	6X8	0.8737
1233	XIX	0.8737
1234	0W8	0.8736
1235	P7I	0.8736
1236	CPZ	0.8736
1237	SDD	0.8735
1238	5ZE	0.8732
1239	42A	0.8731
1240	AML	0.8730
1241	2EH	0.8730
1242	LGC	0.8730
1243	F4Z	0.8730
1244	BZ2	0.8730
1245	BXO	0.8729
1246	CWJ	0.8729
1247	SKM	0.8728
1248	GOL	0.8728
1249	8SZ	0.8727
1250	149	0.8727
1251	VX	0.8725
1252	RUY	0.8725
1253	F5B	0.8725
1254	0P6	0.8724
1255	6MH	0.8724
1256	4BZ	0.8724
1257	2ZV	0.8723
1258	GCO	0.8720
1259	41K	0.8719
1260	B55	0.8719
1261	S2P	0.8718
1262	8ZE	0.8718
1263	5AN	0.8718
1264	82I	0.8717
1265	FRU	0.8717
1266	COM	0.8716
1267	PDC	0.8715
1268	GDE	0.8715
1269	P4B	0.8713
1270	ICB	0.8711
1271	94W	0.8710
1272	8CM	0.8709
1273	TZF	0.8708
1274	SHG	0.8708
1275	GLY PRO	0.8706
1276	E60	0.8705
1277	GXY	0.8705
1278	MB3	0.8705
1279	PAV	0.8703
1280	12Q	0.8702
1281	1IT	0.8701
1282	LZM	0.8700
1283	FOT	0.8700
1284	5JQ	0.8699
1285	AJ2	0.8698
1286	TTO	0.8697
1287	G6D	0.8697
1288	5GU	0.8696
1289	HHN	0.8696
1290	MPV	0.8695
1291	4HP	0.8695
1292	75K	0.8695
1293	2CM	0.8694
1294	HHQ	0.8694
1295	9CA	0.8692
1296	M2K	0.8691
1297	SR1	0.8691
1298	5DI	0.8690
1299	GXV	0.8690
1300	BCU	0.8688
1301	ETM	0.8688
1302	M5K	0.8686
1303	AS3	0.8685
1304	IJZ	0.8685
1305	SNU	0.8682
1306	3R6	0.8681
1307	HQT	0.8680
1308	TC7	0.8680
1309	2ZX	0.8680
1310	ERH	0.8677
1311	HL4	0.8676
1312	CTL	0.8675
1313	ESP	0.8672
1314	PPF	0.8672
1315	Q6T	0.8671
1316	AZ8	0.8670
1317	AEG	0.8669
1318	IPM	0.8668
1319	4XV	0.8667
1320	QBK	0.8667
1321	3Q7	0.8667
1322	259	0.8663
1323	ADZ	0.8661
1324	3MA	0.8660
1325	MFU	0.8656
1326	XQG	0.8656
1327	8IG	0.8656
1328	HSL	0.8655
1329	5JL	0.8655
1330	1XN	0.8654
1331	AOT	0.8654
1332	8S0	0.8653
1333	ONR	0.8652
1334	9SE	0.8650
1335	7VP	0.8650
1336	DIU	0.8650
1337	TPO	0.8649
1338	948	0.8649
1339	SF9	0.8646
1340	PE0	0.8645
1341	MEW	0.8643
1342	3GR	0.8642
1343	1L5	0.8642
1344	UFV	0.8642
1345	DTT	0.8641
1346	HFA	0.8640
1347	XAZ	0.8640
1348	IV2	0.8640
1349	BUA	0.8640
1350	6FZ	0.8639
1351	7W1	0.8639
1352	8WT	0.8638
1353	PPY	0.8637
1354	FBT	0.8637
1355	BAL	0.8637
1356	R2P	0.8636
1357	EFS	0.8636
1358	DA4	0.8635
1359	2H5	0.8635
1360	260	0.8635
1361	4ZC	0.8633
1362	1WC	0.8633
1363	I1N	0.8631
1364	0F9	0.8630
1365	YTB	0.8629
1366	A13	0.8629
1367	ESX	0.8627
1368	36Y	0.8627
1369	42C	0.8626
1370	1XA	0.8626
1371	NDH	0.8625
1372	AQO	0.8625
1373	9RH	0.8624
1374	DUB	0.8624
1375	9MG	0.8624
1376	7NI	0.8620
1377	DIN	0.8619
1378	PIH	0.8619
1379	FA3	0.8619
1380	B57	0.8619
1381	FGZ	0.8618
1382	VPR	0.8617
1383	M1Q	0.8612
1384	GCU	0.8612
1385	IPZ	0.8611
1386	BMA	0.8611
1387	NK2	0.8610
1388	E4P	0.8609
1389	DHY	0.8604
1390	ADA	0.8601
1391	4PN	0.8599
1392	FDB	0.8593
1393	4XS	0.8592
1394	MBG	0.8590
1395	OMD	0.8589
1396	KSW	0.8589
1397	2D8	0.8588
1398	A7W	0.8586
1399	ITU	0.8585
1400	CGB	0.8585
1401	TZZ	0.8570
1402	MEU	0.8570
1403	HX4	0.8568
1404	4ME	0.8559
1405	SIF	0.8546
1406	INS	0.8540
1407	BMD	0.8540
1408	DTI	0.8539
1409	BEA	0.8538
1410	QIC	0.8528
1411	MMZ	0.8519

Ligand no: 2; Ligand: MLA; Similar ligands found: 743

No:	Ligand	Similarity coefficient
1	MLI	1.0000
2	9CL	1.0000
3	C5J	1.0000
4	3HR	1.0000
5	IVA	1.0000
6	MLM	1.0000
7	DMG	1.0000
8	P2D	1.0000
9	3HL	0.9990
10	CEJ	0.9827
11	PRO	0.9815
12	DTL	0.9807
13	MAK	0.9786
14	24T	0.9786
15	HV2	0.9785
16	IPU	0.9779
17	2PC	0.9766
18	DPR	0.9766
19	PYC	0.9744
20	VAL	0.9735
21	3PY	0.9735
22	E60	0.9734
23	ALO	0.9733
24	OXL	0.9732
25	THR	0.9728
26	KIV	0.9722
27	FOA	0.9715
28	BVC	0.9713
29	AOA	0.9712
30	HYN	0.9708
31	CXL	0.9692
32	CYH	0.9692
33	25T	0.9686
34	NMG	0.9680
35	BU4	0.9677
36	HAI	0.9671
37	JBN	0.9671
38	273	0.9661
39	4JU	0.9659
40	BAL	0.9658
41	J1Z	0.9655
42	BUQ	0.9652
43	TFB	0.9651
44	265	0.9646
45	PRS	0.9643
46	IQ0	0.9638
47	MAE	0.9638
48	HX2	0.9632
49	AKB	0.9631
50	S0H	0.9625
51	EGD	0.9624
52	MZ0	0.9624
53	SER	0.9622
54	RP7	0.9620
55	284	0.9616
56	SHF	0.9612
57	HDA	0.9610
58	BMD	0.9609
59	TP5	0.9608
60	SSN	0.9607
61	CHT	0.9604
62	MPD	0.9603
63	IPH	0.9600
64	ABU	0.9598
65	2KT	0.9597
66	LEA	0.9597
67	C21	0.9594
68	FUM	0.9593
69	TZC	0.9592
70	69O	0.9591
71	BUA	0.9591
72	JAB	0.9587
73	2HE	0.9586
74	SAR	0.9584
75	XIX	0.9581
76	HVQ	0.9581
77	V1L	0.9578
78	NVI	0.9577
79	CP	0.9572
80	1AC	0.9571
81	CRS	0.9570
82	4MV	0.9565
83	1DH	0.9564
84	2IM	0.9563
85	IHG	0.9558
86	RCO	0.9554
87	URA	0.9554
88	SMV	0.9553
89	KG7	0.9552
90	DAL	0.9550
91	POA	0.9548
92	L60	0.9547
93	GOL	0.9546
94	SAT	0.9545
95	A2Q	0.9544
96	HPY	0.9543
97	HSE	0.9537
98	192	0.9532
99	HIU	0.9529
100	OXD	0.9526
101	AMC	0.9525
102	3CH	0.9525
103	DXX	0.9524
104	XPO	0.9523
105	TB6	0.9523
106	HUI	0.9521
107	T2C	0.9518
108	H95	0.9518
109	23W	0.9514
110	DCL	0.9512
111	FJO	0.9511
112	DUC	0.9510
113	PLQ	0.9509
114	DGY	0.9508
115	03W	0.9508
116	MSF	0.9507
117	2MH	0.9505
118	PRI	0.9503
119	93B	0.9503
120	7VD	0.9499
121	PAE	0.9496
122	8X3	0.9494
123	7EX	0.9493
124	DSN	0.9483
125	MTG	0.9482
126	PPF	0.9480
127	CYT	0.9474
128	282	0.9474
129	1MR	0.9474
130	LER	0.9474
131	BUB	0.9473
132	JZ5	0.9473
133	3BB	0.9469
134	PYR	0.9469
135	TAU	0.9469
136	MRY	0.9468
137	C2N	0.9468
138	1DU	0.9466
139	LG3	0.9466
140	HGY	0.9462
141	HQE	0.9459
142	ECE	0.9458
143	26D	0.9454
144	XAP	0.9453
145	SYN	0.9451
146	2OP	0.9451
147	LG5	0.9450
148	FPN	0.9449
149	GXE	0.9449
150	BVF	0.9449
151	MBN	0.9447
152	LAC	0.9446
153	HBS	0.9445
154	ABA	0.9441
155	PCT	0.9439
156	BVG	0.9439
157	IDH	0.9437
158	FBJ	0.9436
159	SMB	0.9434
160	ITU	0.9433
161	4AP	0.9429
162	CYS	0.9428
163	ATQ	0.9427
164	GXV	0.9426
165	DA1	0.9426
166	BXO	0.9425
167	OHG	0.9425
168	FPI	0.9425
169	9PO	0.9424
170	4HA	0.9423
171	2EZ	0.9422
172	3AP	0.9422
173	H3M	0.9420
174	PCR	0.9420
175	8GF	0.9419
176	1KA	0.9416
177	FW5	0.9413
178	HVK	0.9413
179	WOT	0.9413
180	HRZ	0.9411
181	MZW	0.9410
182	HBX	0.9408
183	6SP	0.9402
184	2AP	0.9402
185	ALQ	0.9398
186	BAE	0.9398
187	39J	0.9398
188	HCS	0.9397
189	PUT	0.9395
190	PXY	0.9394
191	3ZQ	0.9391
192	A3B	0.9390
193	SLP	0.9387
194	DBB	0.9386
195	ABN	0.9385
196	2RA	0.9384
197	LG4	0.9383
198	PYF	0.9383
199	BAQ	0.9382
200	ETX	0.9381
201	HBR	0.9377
202	P7I	0.9376
203	THE	0.9374
204	DE2	0.9374
205	1CB	0.9373
206	VX	0.9372
207	TAY	0.9372
208	ALA	0.9370
209	HSM	0.9370
210	PYM	0.9368
211	40O	0.9366
212	9X7	0.9365
213	RSF	0.9364
214	4H2	0.9364
215	NBE	0.9363
216	IND	0.9362
217	LZ1	0.9362
218	UY7	0.9361
219	APY	0.9361
220	25R	0.9360
221	GVH	0.9360
222	0R1	0.9359
223	PY7	0.9359
224	AC5	0.9359
225	HGQ	0.9358
226	GBL	0.9357
227	CIG	0.9356
228	BZF	0.9355
229	MPI	0.9354
230	BZI	0.9354
231	OXM	0.9354
232	DCY	0.9353
233	M6W	0.9348
234	FCN	0.9348
235	PG3	0.9347
236	M3T	0.9347
237	9YL	0.9346
238	LGA	0.9345
239	DEN	0.9340
240	BP9	0.9338
241	DAB	0.9332
242	TMT	0.9332
243	NIS	0.9330
244	8CL	0.9328
245	HEW	0.9325
246	HYP	0.9325
247	4JP	0.9322
248	TMZ	0.9320
249	ILE	0.9318
250	BTL	0.9316
251	BEZ	0.9314
252	2HA	0.9314
253	BEN	0.9313
254	ODV	0.9310
255	MB3	0.9309
256	B3R	0.9307
257	IDM	0.9306
258	BML	0.9302
259	PCA	0.9298
260	4CH	0.9297
261	HZP	0.9295
262	285	0.9293
263	XYS	0.9291
264	UYA	0.9291
265	FLA	0.9290
266	COM	0.9289
267	GBD	0.9286
268	0CT	0.9285
269	ICC	0.9285
270	5AC	0.9282
271	IZC	0.9277
272	OXQ	0.9273
273	CAQ	0.9272
274	TF4	0.9272
275	GAG	0.9270
276	YCP	0.9270
277	1SP	0.9269
278	NIO	0.9266
279	6PC	0.9266
280	1DQ	0.9265
281	NAK	0.9264
282	JZ7	0.9261
283	AMT	0.9261
284	PYJ	0.9261
285	54D	0.9260
286	3MT	0.9258
287	ETM	0.9257
288	XYP	0.9257
289	GG6	0.9256
290	NCA	0.9254
291	MTD	0.9252
292	QSC	0.9251
293	FMS	0.9250
294	4HS	0.9248
295	1AB	0.9247
296	YHO	0.9247
297	JZ9	0.9244
298	HHN	0.9243
299	WTZ	0.9242
300	BAM	0.9242
301	R2B	0.9241
302	EDG	0.9240
303	60P	0.9238
304	4JN	0.9236
305	XBT	0.9232
306	TTO	0.9232
307	NVA	0.9230
308	MEU	0.9229
309	LDU	0.9229
310	NBZ	0.9227
311	A8C	0.9225
312	3GR	0.9224
313	4XX	0.9222
314	LLQ	0.9219
315	OXE	0.9219
316	B24	0.9218
317	OPE	0.9217
318	OAA	0.9215
319	UNU	0.9215
320	ZBT	0.9215
321	TFS	0.9212
322	FPY	0.9211
323	PZA	0.9211
324	9SB	0.9211
325	QFH	0.9211
326	HHQ	0.9210
327	ETF	0.9209
328	TZL	0.9207
329	HY3	0.9206
330	ISU	0.9205
331	93Q	0.9204
332	L89	0.9200
333	VGL	0.9199
334	1AN	0.9199
335	1PT	0.9198
336	JZ0	0.9198
337	GLY ALA	0.9196
338	PE9	0.9192
339	23B	0.9191
340	VAH	0.9190
341	8LG	0.9190
342	TH0	0.9187
343	MZY	0.9187
344	PGA	0.9184
345	NXA	0.9183
346	MMU	0.9183
347	MRZ	0.9180
348	76X	0.9179
349	280	0.9178
350	SS2	0.9177
351	TDR	0.9175
352	NTN	0.9174
353	BEW	0.9174
354	URF	0.9173
355	FP2	0.9172
356	MLT	0.9171
357	TEO	0.9171
358	DTU	0.9171
359	92Z	0.9170
360	2AF	0.9168
361	4MZ	0.9166
362	A20	0.9160
363	3TR	0.9159
364	14J	0.9155
365	CRN	0.9153
366	SGL	0.9152
367	5MP	0.9151
368	BUO	0.9149
369	PAH	0.9147
370	OK7	0.9146
371	2MZ	0.9145
372	2CH	0.9144
373	PIH	0.9143
374	MR3	0.9139
375	HOW	0.9139
376	AC0	0.9136
377	HGW	0.9135
378	4HO	0.9134
379	NBN	0.9134
380	PIS	0.9131
381	IOL	0.9129
382	275	0.9129
383	1MZ	0.9126
384	AML	0.9126
385	M58	0.9120
386	4DX	0.9120
387	XRG	0.9120
388	XBZ	0.9120
389	NK	0.9116
390	2AI	0.9116
391	LMR	0.9115
392	HTS	0.9114
393	DTI	0.9112
394	DSS	0.9112
395	XYL	0.9112
396	RB5	0.9112
397	KSW	0.9111
398	IT2	0.9109
399	ITN	0.9108
400	1MC	0.9106
401	HY1	0.9106
402	UGC	0.9106
403	3SS	0.9106
404	PBC	0.9102
405	7WG	0.9102
406	SS1	0.9101
407	4ZE	0.9100
408	2RH	0.9099
409	WBU	0.9098
410	MWM	0.9098
411	CSS	0.9098
412	40E	0.9097
413	FQI	0.9094
414	MCT	0.9093
415	AHR	0.9091
416	2AC	0.9087
417	JZ6	0.9085
418	34A	0.9085
419	PPV	0.9084
420	MMZ	0.9081
421	IOM	0.9080
422	EFS	0.9078
423	5UC	0.9078
424	3MC	0.9074
425	3CL	0.9074
426	CMS	0.9074
427	HSL	0.9073
428	YAN	0.9071
429	PYD	0.9069
430	ICP	0.9069
431	2MP	0.9068
432	2YU	0.9067
433	XYD	0.9065
434	2DR	0.9064
435	R8A	0.9063
436	HBA	0.9061
437	R1X	0.9060
438	PYG	0.9059
439	JYD	0.9059
440	LEU	0.9058
441	IUR	0.9058
442	6X8	0.9055
443	5Y9	0.9054
444	DAS	0.9054
445	5KX	0.9053
446	BNS	0.9053
447	KPL	0.9052
448	TM7	0.9052
449	LXC	0.9051
450	ASN	0.9050
451	2K4	0.9049
452	IMR	0.9048
453	BZX	0.9048
454	JZ2	0.9048
455	3ZS	0.9043
456	CRD	0.9043
457	D2P	0.9042
458	286	0.9042
459	COI	0.9040
460	ASP	0.9040
461	5H1	0.9039
462	CIZ	0.9038
463	L3Q	0.9038
464	RSO	0.9036
465	4CL	0.9034
466	EHM	0.9034
467	938	0.9033
468	C2A	0.9033
469	278	0.9032
470	47J	0.9029
471	DYA	0.9029
472	HE2	0.9029
473	14O	0.9028
474	4AX	0.9024
475	9A7	0.9023
476	POP	0.9022
477	5MI	0.9019
478	4JJ	0.9018
479	2PN	0.9017
480	FBA	0.9016
481	SPA	0.9015
482	13D	0.9015
483	4VP	0.9013
484	6AI	0.9011
485	5MB	0.9011
486	F60	0.9011
487	TZE	0.9009
488	JZ3	0.9009
489	43M	0.9008
490	HT4	0.9008
491	BYZ	0.9008
492	HYA	0.9004
493	51F	0.9004
494	NCM	0.9004
495	A1U	0.9001
496	DMI	0.8999
497	PHB	0.8999
498	FAN	0.8996
499	FLM	0.8994
500	GMN	0.8992
501	27Y	0.8992
502	RBL	0.8991
503	3FA	0.8991
504	2C9	0.8991
505	FFP	0.8990
506	TAR	0.8989
507	HLT	0.8989
508	9A4	0.8989
509	PAF	0.8988
510	3MH	0.8987
511	MBD	0.8986
512	XUL	0.8983
513	4JL	0.8982
514	5JC	0.8980
515	GLV	0.8978
516	4JO	0.8976
517	QOS	0.8974
518	HLR	0.8974
519	5MH	0.8973
520	9TY	0.8972
521	MWJ	0.8972
522	1XX	0.8970
523	VSO	0.8969
524	2MY	0.8968
525	Z6J	0.8968
526	PXO	0.8968
527	XLS	0.8967
528	GLY	0.8965
529	BR9	0.8965
530	4SD	0.8965
531	ES9	0.8963
532	9EW	0.8957
533	PKU	0.8956
534	MZG	0.8956
535	MMQ	0.8955
536	ICN	0.8951
537	URP	0.8950
538	ES3	0.8948
539	JZ1	0.8948
540	JAE	0.8948
541	0TR	0.8947
542	11S	0.8946
543	FAH	0.8944
544	DMV	0.8942
545	HIO	0.8942
546	GOA	0.8942
547	0R0	0.8940
548	ARB	0.8939
549	0RW	0.8938
550	3CE	0.8938
551	6M4	0.8935
552	IFM	0.8935
553	RIB	0.8931
554	AKR	0.8931
555	TLA	0.8930
556	PYZ	0.8928
557	AGK	0.8927
558	6MH	0.8926
559	NIE	0.8926
560	7CZ	0.8925
561	OXZ	0.8923
562	PPI	0.8919
563	H4N	0.8917
564	2CM	0.8917
565	FK1	0.8915
566	F05	0.8914
567	M2H	0.8911
568	ISZ	0.8904
569	AX7	0.8902
570	270	0.8902
571	GIF	0.8893
572	AZF	0.8886
573	1DW	0.8884
574	0MK	0.8877
575	FUL	0.8876
576	8NY	0.8875
577	QUZ	0.8873
578	HSW	0.8870
579	6M9	0.8870
580	1DV	0.8868
581	TLD	0.8868
582	2MI	0.8863
583	PEL	0.8863
584	SRT	0.8858
585	SVN	0.8857
586	O7U	0.8856
587	ABV	0.8855
588	RIP	0.8855
589	CFI	0.8855
590	P92	0.8854
591	DUB	0.8854
592	Y8I	0.8851
593	FEH	0.8849
594	2CO	0.8848
595	NPO	0.8847
596	MET	0.8846
597	64K	0.8846
598	4JM	0.8844
599	4CS	0.8843
600	XM0	0.8842
601	BHO	0.8839
602	NMU	0.8834
603	CXF	0.8834
604	NIZ	0.8834
605	TM4	0.8830
606	GLU	0.8830
607	3Q7	0.8826
608	FUC	0.8823
609	F3V	0.8821
610	CNH	0.8821
611	FCA	0.8819
612	C2B	0.8817
613	PM6	0.8817
614	MXN	0.8811
615	SNE	0.8809
616	2XX	0.8809
617	NPY	0.8808
618	TAN	0.8806
619	HVB	0.8804
620	URQ	0.8803
621	PBE	0.8803
622	ARA	0.8803
623	B20	0.8800
624	9X6	0.8798
625	ADE	0.8798
626	DFU	0.8797
627	F50	0.8792
628	ICF	0.8791
629	DFB	0.8786
630	717	0.8784
631	271	0.8782
632	BNZ	0.8781
633	2CK	0.8779
634	BP1	0.8775
635	4SV	0.8773
636	HAE	0.8772
637	3V4	0.8772
638	3OC	0.8772
639	FSG	0.8769
640	CEE	0.8768
641	34V	0.8768
642	MGX	0.8764
643	F9P	0.8762
644	FUF	0.8759
645	JBE	0.8758
646	FBM	0.8758
647	2A1	0.8758
648	61G	0.8757
649	SAL	0.8757
650	R8S	0.8757
651	SPV	0.8756
652	RUU	0.8753
653	23A	0.8753
654	PEA	0.8751
655	TMH	0.8749
656	H8N	0.8747
657	10L	0.8746
658	ES4	0.8744
659	R3W	0.8743
660	4XR	0.8743
661	0PY	0.8743
662	3U4	0.8739
663	13P	0.8739
664	MDN	0.8736
665	KOJ	0.8736
666	YTB	0.8735
667	JKE	0.8735
668	GLY GLY	0.8735
669	PHZ	0.8733
670	GLL	0.8732
671	3NT	0.8731
672	FYU	0.8730
673	BE2	0.8729
674	5HN	0.8729
675	HPA	0.8727
676	ORN	0.8723
677	2AS	0.8722
678	Z82	0.8722
679	HMH	0.8721
680	AGU	0.8719
681	NHY	0.8717
682	6MP	0.8716
683	ZZT	0.8716
684	94N	0.8716
685	1WD	0.8715
686	ABE	0.8715
687	8GC	0.8714
688	1DJ	0.8712
689	TSZ	0.8706
690	24B	0.8706
691	8H8	0.8706
692	P1R	0.8703
693	H76	0.8703
694	BBU	0.8703
695	BXA	0.8701
696	7WA	0.8701
697	MNN	0.8700
698	7N0	0.8695
699	TH7	0.8694
700	3HB	0.8693
701	150	0.8688
702	GAB	0.8686
703	3AB	0.8686
704	ATO	0.8683
705	NMJ	0.8679
706	NSP	0.8678
707	2CQ	0.8678
708	7WV	0.8677
709	13X	0.8677
710	ES6	0.8672
711	PAB	0.8671
712	HMU	0.8670
713	1BP	0.8668
714	DQY	0.8668
715	3SK	0.8666
716	4ZC	0.8665
717	3XX	0.8661
718	3Z7	0.8661
719	MUC	0.8660
720	WCE	0.8656
721	FUB	0.8646
722	HBD	0.8645
723	7HP	0.8641
724	2ZX	0.8640
725	5ZE	0.8634
726	1Y6	0.8631
727	PBZ	0.8630
728	53C	0.8626
729	KYD	0.8624
730	PMB	0.8622
731	TB0	0.8619
732	6UA	0.8611
733	WDL	0.8609
734	VNJ	0.8605
735	PEP	0.8603
736	3AY	0.8603
737	BRP	0.8603
738	GLC	0.8595
739	AX2	0.8589
740	FB2	0.8574
741	6HQ	0.8565
742	TPA	0.8556
743	BR8	0.8532

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

Pocket No.: 1; Query (leader) PDB : 6MSN; Ligand: JYD; 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: 6msn.bio1) has 20 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 2; Query (leader) PDB : 6MSN; Ligand: JYD; 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: 6msn.bio1) has 20 residues
No:	Leader PDB	Ligand	Sequence Similarity

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