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Showing PDB: 1MMK

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Receptor | Ligand | View in 3D

Family: 90% | 70% | 50% | site

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      Structure Biounit | Ligand Information

PDB           : .ZIP | .CSV

Family 90% : .ZIP | .CSV

Class         : .ZIP | .CSV

Receptor

PDB id	Resolution	Class	Description	Source	Keywords
1MMK	2 Å	EC: 1.14.16.1	CRYSTAL STRUCTURE OF TERNARY COMPLEX OF THE CATALYTIC DOMAIN OF HUMAN PHENYLALANINE HYDROXYLASE ((FEII)) C OMPLEXED WITH TETRAHYDROBIOPTERIN AND THIENYLALANINE	HOMO SAPIENS	BASKET-ARRANGEMENT 13 ALPHA-HELICES 8 BETA-STRANDS FERROUS IRON OXIDOREDUCTASE
Ref.:	2.0A RESOLUTION CRYSTAL STRUCTURES OF THE TERNARY COMPLEXES OF HUMAN PHENYLALANINE HYDROXYLASE CATALYTIC DOMAIN WITH TETRAHYDROBIOPTERIN AND 3-(2-THIENYL)-L-ALANINE OR L-NORLEUCINE: SUBSTRATE SPECIFICITY AND MOLECULAR MOTIONS RELATED TO SUBSTRATE BIN

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	NGL Viewer	Molecular Weight (Da)	Formula	SMILES
FE2	A:1426;	Part of Protein;	none;	submit data		55.845	Fe	[Fe+2...
H4B	A:1427;	Valid;	none;	submit data		241.247	C9 H15 N5 O3	C[C@@...
SO4	A:429;	Invalid;	none;	submit data		96.063	O4 S	[O-]S...
TIH	A:428;	Valid;	none;	submit data		171.217	C7 H9 N O2 S	c1cc(...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
4ANP	2.11 Å	EC: 1.14.16.1	CRYSTAL STRUCTURE OF HUMAN PHENYLALANINE HYDROXYLASE IN COMPLEX WITH A PHARMACOLOGICAL CHAPERONE	HOMO SAPIENS	OXIDOREDUCTASE PHENYLKETONURIA FOLDING MECHANISM
Ref.:	STRUCTURAL AND MECHANISTIC BASIS OF THE INTERACTION A PHARMACOLOGICAL CHAPERONE AND HUMAN PHENYLALANINE HYDROXYLASE. CHEMBIOCHEM V. 13 1266 2012

Members (12)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 3 families.
1	1TG2	-	H2B	C9 H13 N5 O3	C[C@@H]([C....
2	1J8U	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
3	1MMT	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
4	1LRM	-	HBI	C9 H13 N5 O3	C[C@@H]([C....
5	1DMW	-	HBI	C9 H13 N5 O3	C[C@@H]([C....
6	1KW0	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
7	6PAH	-	DAH	C9 H11 N O4	c1cc(c(cc1....
8	1MMK	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
9	5PAH	-	LDP	C8 H11 N O2	c1cc(c(cc1....
10	4ANP	Ki = 200 uM	3QI	C14 H13 N3 O S2	Cc1ccnc(c1....
11	3PAH	-	XDE	C9 H13 N O3	CNC[C@H](c....
12	4PAH	-	LNR	C8 H11 N O3	c1cc(c(cc1....

70% Homology Family (19)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 3 families.
1	1TG2	-	H2B	C9 H13 N5 O3	C[C@@H]([C....
2	1J8U	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
3	1MMT	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
4	1LRM	-	HBI	C9 H13 N5 O3	C[C@@H]([C....
5	1DMW	-	HBI	C9 H13 N5 O3	C[C@@H]([C....
6	1KW0	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
7	6PAH	-	DAH	C9 H11 N O4	c1cc(c(cc1....
8	1MMK	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
9	5PAH	-	LDP	C8 H11 N O2	c1cc(c(cc1....
10	4ANP	Ki = 200 uM	3QI	C14 H13 N3 O S2	Cc1ccnc(c1....
11	3PAH	-	XDE	C9 H13 N O3	CNC[C@H](c....
12	4PAH	-	LNR	C8 H11 N O3	c1cc(c(cc1....
13	3HF6	ic50 = 0.026 uM	LX0	C24 H24 N6 O2	C[C@H](c1c....
14	5TPG	ic50 = 14 nM	7H5	C28 H29 Cl F3 N5 O5 S	CS(=O)(=O)....
15	3HF8	Ki = 0.31 uM	ML0	C27 H22 F4 N4 O3	c1cc(cc(c1....
16	3HFB	Ki = 0.03 uM	ML4	C27 H26 N4 O2	Cc1ccccc1c....
17	5J6D	ic50 = 6 nM	6H5	C30 H35 N5 O5	[H]/N=C(/N....
18	1MLW	-	HBI	C9 H13 N5 O3	C[C@@H]([C....
19	2TOH	Ki = 70 uM	HBI	C9 H13 N5 O3	C[C@@H]([C....

50% Homology Family (20)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 3 families.
1	1TG2	-	H2B	C9 H13 N5 O3	C[C@@H]([C....
2	1J8U	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
3	1MMT	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
4	1LRM	-	HBI	C9 H13 N5 O3	C[C@@H]([C....
5	1DMW	-	HBI	C9 H13 N5 O3	C[C@@H]([C....
6	1KW0	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
7	6PAH	-	DAH	C9 H11 N O4	c1cc(c(cc1....
8	1MMK	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
9	5PAH	-	LDP	C8 H11 N O2	c1cc(c(cc1....
10	4ANP	Ki = 200 uM	3QI	C14 H13 N3 O S2	Cc1ccnc(c1....
11	3PAH	-	XDE	C9 H13 N O3	CNC[C@H](c....
12	4PAH	-	LNR	C8 H11 N O3	c1cc(c(cc1....
13	3HF6	ic50 = 0.026 uM	LX0	C24 H24 N6 O2	C[C@H](c1c....
14	5TPG	ic50 = 14 nM	7H5	C28 H29 Cl F3 N5 O5 S	CS(=O)(=O)....
15	3HF8	Ki = 0.31 uM	ML0	C27 H22 F4 N4 O3	c1cc(cc(c1....
16	3HFB	Ki = 0.03 uM	ML4	C27 H26 N4 O2	Cc1ccccc1c....
17	5J6D	ic50 = 6 nM	6H5	C30 H35 N5 O5	[H]/N=C(/N....
18	1MLW	-	HBI	C9 H13 N5 O3	C[C@@H]([C....
19	5L01	ic50 = 33 nM	6Z4	C27 H27 Cl F3 N5 O3	c1ccc(cc1)....
20	2TOH	Ki = 70 uM	HBI	C9 H13 N5 O3	C[C@@H]([C....

Polypharmacology

Similar Ligands (2D)

Ligand no: 1; Ligand: H4B; Similar ligands found: 6

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	H4B	1	1
2	BHS	1	1
3	2K8	0.534483	0.903226
4	44V	0.526316	0.852459
5	B62	0.526316	0.852459
6	ZZZ	0.508475	0.852459

Ligand no: 2; Ligand: TIH; Similar ligands found: 4

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	TIH	1	1
2	SPA	0.463415	0.607143
3	DPN	0.4	0.75
4	PHE	0.4	0.75

Similar Ligands (3D)

Ligand no: 1; Ligand: H4B; Similar ligands found: 1269

No:	Ligand	Similarity coefficient
1	4AB	1.0000
2	H2B	1.0000
3	HBI	1.0000
4	EF2	1.0000
5	EQU	1.0000
6	GDL	1.0000
7	Y4L	1.0000
8	REL	1.0000
9	CIY	1.0000
10	ZSP	0.9931
11	BIO	0.9871
12	NEO	0.9812
13	7AP	0.9763
14	NEU	0.9706
15	MPU	0.9623
16	0J4	0.9614
17	S60	0.9600
18	BGU	0.9599
19	2WU	0.9590
20	S98	0.9561
21	LUM	0.9546
22	N0Z	0.9545
23	HHS	0.9518
24	NPX	0.9515
25	1DR	0.9501
26	RSV	0.9491
27	AP6	0.9480
28	HRD	0.9479
29	LFN	0.9466
30	GXG	0.9465
31	FT6	0.9452
32	B52	0.9434
33	H4B NO	0.9420
34	6FB	0.9419
35	ANC	0.9406
36	WS7	0.9398
37	WS6	0.9395
38	FYR	0.9389
39	N1E	0.9389
40	PMM	0.9385
41	B61	0.9380
42	M78	0.9379
43	CX6	0.9376
44	2QU	0.9373
45	0SY	0.9372
46	SJK	0.9369
47	92O	0.9366
48	HRM	0.9364
49	6QF	0.9362
50	DX2	0.9361
51	0FK	0.9360
52	FWD	0.9359
53	NRA	0.9357
54	PRL	0.9356
55	KF5	0.9349
56	JRO	0.9347
57	NPS	0.9345
58	TRP	0.9343
59	344	0.9342
60	EQA	0.9340
61	96Z	0.9338
62	CTE	0.9336
63	WV7	0.9331
64	2J1	0.9329
65	ITE	0.9327
66	S7G	0.9325
67	3VX	0.9324
68	5VU	0.9322
69	PH2	0.9321
70	4Z1	0.9318
71	K7H	0.9314
72	N91	0.9314
73	QIV	0.9313
74	Z25	0.9310
75	YZ9	0.9302
76	B5A	0.9298
77	0OK	0.9298
78	3J8	0.9296
79	FF2	0.9292
80	Y3L	0.9286
81	B56	0.9284
82	8HC	0.9284
83	GEN	0.9280
84	OLU	0.9278
85	5E5	0.9274
86	4OG	0.9270
87	ZHA	0.9268
88	UAY	0.9265
89	X48	0.9264
90	OA4	0.9258
91	7L4	0.9257
92	0J5	0.9257
93	8Y7	0.9255
94	AJG	0.9255
95	VUP	0.9247
96	AJ1	0.9247
97	EES	0.9246
98	5NN	0.9246
99	HHR	0.9245
100	5SJ	0.9243
101	1Q4	0.9240
102	JTA	0.9240
103	GZV	0.9239
104	XCG	0.9236
105	5AD	0.9234
106	MUX	0.9234
107	5S9	0.9232
108	ZEC	0.9230
109	KLV	0.9229
110	PIQ	0.9229
111	CC5	0.9221
112	9CE	0.9219
113	5TY	0.9218
114	GNV	0.9217
115	Z21	0.9213
116	MUK	0.9212
117	7PJ	0.9210
118	1A5	0.9208
119	3SU	0.9203
120	X0U	0.9201
121	T1N	0.9196
122	DBS	0.9196
123	JF8	0.9195
124	DRG	0.9195
125	0UL	0.9195
126	ZRK	0.9192
127	5C1	0.9192
128	PVQ	0.9192
129	D64	0.9191
130	3Y7	0.9191
131	CWD	0.9190
132	AC2	0.9189
133	3R4	0.9189
134	2PV	0.9188
135	ITW	0.9187
136	9KZ	0.9183
137	F40	0.9181
138	3IL	0.9181
139	V1T	0.9181
140	CG	0.9180
141	BQ2	0.9180
142	ZYR	0.9180
143	2P3	0.9179
144	KMY	0.9177
145	Q0K	0.9177
146	BWD	0.9177
147	1ZC	0.9176
148	2QV	0.9175
149	TMG	0.9174
150	RVE	0.9173
151	CHQ	0.9171
152	3GX	0.9169
153	1FE	0.9167
154	1QV	0.9167
155	697	0.9165
156	7PS	0.9165
157	Y70	0.9164
158	KP2	0.9164
159	EUH	0.9161
160	S0E	0.9161
161	20D	0.9160
162	68A	0.9160
163	9TF	0.9160
164	DNQ	0.9159
165	B21	0.9158
166	1V1	0.9156
167	JGB	0.9156
168	EMO	0.9155
169	0NJ	0.9154
170	SYE	0.9153
171	0DF	0.9153
172	4NR	0.9152
173	WLH	0.9151
174	2PK	0.9150
175	ZRL	0.9149
176	EYY	0.9149
177	RE4	0.9142
178	1BW	0.9141
179	FQX	0.9141
180	GO8	0.9139
181	ONZ	0.9137
182	3N1	0.9137
183	DPT	0.9137
184	BVS	0.9136
185	3IB	0.9135
186	H75	0.9134
187	APS	0.9134
188	SG2	0.9133
189	DFL	0.9133
190	PYU	0.9131
191	5WT	0.9131
192	2GQ	0.9131
193	PMP	0.9131
194	2JX	0.9130
195	FDR	0.9130
196	22L	0.9130
197	AMR	0.9129
198	RGK	0.9128
199	AN3	0.9127
200	PVK	0.9127
201	YX1	0.9127
202	A73	0.9126
203	0FR	0.9123
204	QME	0.9123
205	JBZ	0.9123
206	MD6	0.9123
207	NKI	0.9121
208	22T	0.9120
209	5B2	0.9119
210	3F4	0.9119
211	EV2	0.9119
212	7EH	0.9119
213	GO2	0.9119
214	EI1	0.9118
215	25F	0.9118
216	4R1	0.9118
217	7FU	0.9117
218	SZ5	0.9116
219	HNT	0.9116
220	CPW	0.9115
221	4HB	0.9113
222	A9B	0.9113
223	DTR	0.9112
224	BP7	0.9112
225	CGW	0.9112
226	4I8	0.9111
227	3D8	0.9110
228	L2K	0.9109
229	LVY	0.9103
230	397	0.9103
231	78U	0.9102
232	FNT	0.9102
233	F5C	0.9101
234	2D2	0.9100
235	A5H	0.9100
236	272	0.9096
237	OA1	0.9095
238	SKF	0.9094
239	IWD	0.9094
240	YF3	0.9093
241	X0T	0.9093
242	28A	0.9093
243	EUE	0.9093
244	CNI	0.9093
245	E3X	0.9092
246	5V7	0.9091
247	657	0.9090
248	W23	0.9090
249	GW3	0.9089
250	4GU	0.9089
251	IOP	0.9089
252	FCD	0.9089
253	KWB	0.9089
254	NAL	0.9088
255	MFR	0.9088
256	FCW	0.9087
257	OUB	0.9086
258	N2M	0.9086
259	363	0.9085
260	IQW	0.9084
261	AUG	0.9083
262	NWD	0.9083
263	3AD	0.9082
264	CDY	0.9081
265	BPY	0.9081
266	6DQ	0.9080
267	X04	0.9079
268	LTN	0.9076
269	LOT	0.9075
270	ZYQ	0.9075
271	LZ2	0.9075
272	54E	0.9074
273	1V4	0.9073
274	DTE	0.9070
275	4KL	0.9070
276	IDZ	0.9070
277	47V	0.9069
278	E1T	0.9069
279	ANF	0.9068
280	BBY	0.9066
281	E6Q	0.9065
282	537	0.9064
283	AVX	0.9063
284	4BX	0.9062
285	XYP XIF	0.9061
286	XIF XYP	0.9061
287	NIF	0.9061
288	IXG	0.9061
289	THA	0.9061
290	5OR	0.9060
291	109	0.9059
292	HBO	0.9058
293	8XL	0.9058
294	E9S	0.9057
295	P9E	0.9057
296	46M	0.9055
297	P4L	0.9055
298	A05	0.9055
299	ARP	0.9055
300	GB4	0.9054
301	M9K	0.9053
302	JO5	0.9053
303	5M2	0.9052
304	6L6	0.9052
305	A5Q	0.9052
306	AQN	0.9049
307	II4	0.9048
308	JA5	0.9047
309	1V3	0.9044
310	S0D	0.9044
311	3DE	0.9042
312	E1K	0.9042
313	YE7	0.9041
314	6KT	0.9041
315	A6W	0.9040
316	ZAR	0.9038
317	88R	0.9037
318	AH6	0.9037
319	CXH	0.9037
320	EXG	0.9036
321	2FX	0.9035
322	4FE	0.9034
323	3L1	0.9034
324	HWD	0.9034
325	GFE	0.9033
326	BZJ	0.9031
327	6HO	0.9031
328	XI7	0.9031
329	789	0.9030
330	15Q	0.9029
331	JCZ	0.9028
332	4BY	0.9027
333	49P	0.9027
334	KW7	0.9026
335	7MW	0.9026
336	YE6	0.9026
337	AA	0.9026
338	PE2	0.9025
339	801	0.9025
340	CK2	0.9025
341	IKY	0.9024
342	BGN	0.9023
343	M3F	0.9023
344	IL5	0.9023
345	1HR	0.9022
346	26C	0.9022
347	3D1	0.9021
348	G6P	0.9021
349	BG6	0.9021
350	5F1	0.9019
351	1FL	0.9019
352	9JT	0.9019
353	2UD	0.9018
354	LI7	0.9017
355	78P	0.9017
356	BMZ	0.9017
357	EE8	0.9017
358	GA2	0.9015
359	47X	0.9014
360	E9L	0.9013
361	8M5	0.9013
362	833	0.9012
363	0GA	0.9012
364	4Z9	0.9012
365	XYP XYP	0.9012
366	EYJ	0.9011
367	3QV	0.9011
368	8D6	0.9010
369	TCR	0.9010
370	1CY	0.9010
371	ADN	0.9009
372	MXD	0.9008
373	6EL	0.9007
374	DXK	0.9007
375	KTW	0.9007
376	PRH	0.9006
377	B41	0.9005
378	MDR	0.9005
379	HFT	0.9004
380	TIA	0.9004
381	P2L	0.9003
382	P4T	0.9002
383	JF2	0.9002
384	5GV	0.9000
385	30G	0.9000
386	JY4	0.9000
387	0OO	0.9000
388	PW1	0.8998
389	EXR	0.8997
390	KYN	0.8996
391	1QP	0.8995
392	5ER	0.8994
393	JF1	0.8994
394	2J5	0.8994
395	FHV	0.8994
396	MNS	0.8994
397	PQT	0.8993
398	CR4	0.8993
399	X2M	0.8993
400	3JL	0.8992
401	120	0.8992
402	CP6	0.8992
403	3ZB	0.8991
404	78Y	0.8991
405	9ZE	0.8990
406	GXD	0.8990
407	C4E	0.8989
408	4BL	0.8988
409	Q5M	0.8988
410	AX5	0.8988
411	CL9	0.8987
412	7D7	0.8986
413	DT7	0.8986
414	092	0.8986
415	DAH	0.8986
416	V15	0.8986
417	HA6	0.8985
418	ZIP	0.8984
419	JAH	0.8984
420	NIY	0.8983
421	3AK	0.8982
422	MPP	0.8982
423	BA5	0.8982
424	TGW	0.8982
425	M5H	0.8981
426	Z17	0.8981
427	TXQ	0.8981
428	4CN	0.8980
429	14Z	0.8979
430	8SK	0.8977
431	5XL	0.8975
432	549	0.8974
433	A7H	0.8974
434	GJK	0.8974
435	4FF	0.8973
436	CX4	0.8973
437	1HN	0.8973
438	8NX	0.8972
439	5WS	0.8971
440	89J	0.8971
441	6H2	0.8971
442	2O6	0.8971
443	P1J	0.8971
444	F52	0.8971
445	7MX	0.8970
446	1SF	0.8970
447	SLS	0.8970
448	1HP	0.8970
449	C2M	0.8970
450	UNJ	0.8969
451	PQS	0.8969
452	FPL	0.8969
453	5I5	0.8968
454	S0G	0.8968
455	9FH	0.8967
456	6MD	0.8967
457	9R5	0.8966
458	1YL	0.8965
459	Y0V	0.8964
460	54X	0.8963
461	2L2	0.8963
462	ZEZ	0.8962
463	D9Z	0.8961
464	D8Q	0.8960
465	WSD	0.8960
466	H2W	0.8959
467	GJP	0.8959
468	AWE	0.8959
469	1AJ	0.8958
470	2LT	0.8958
471	D1Y	0.8957
472	GNG	0.8957
473	MP5	0.8957
474	SIZ	0.8956
475	NDD	0.8956
476	GNY	0.8956
477	ZTW	0.8955
478	52F	0.8954
479	3BH	0.8954
480	XYA	0.8953
481	041	0.8953
482	5CD	0.8953
483	A4D	0.8953
484	CDJ	0.8953
485	0K7	0.8953
486	NAG	0.8953
487	TOH	0.8952
488	HPR	0.8951
489	F4U	0.8951
490	VC3	0.8950
491	C9M	0.8949
492	JOB	0.8949
493	LL1	0.8948
494	B4O	0.8948
495	W8L	0.8948
496	4AU	0.8948
497	H35	0.8947
498	RDT	0.8947
499	6HP	0.8947
500	9UL	0.8947
501	6TJ	0.8947
502	FER	0.8947
503	XYP XDN	0.8946
504	AH9	0.8946
505	GVY	0.8946
506	BB4	0.8945
507	EAE	0.8945
508	PLP	0.8945
509	FMQ	0.8945
510	PQM	0.8944
511	STZ	0.8944
512	FZM	0.8944
513	6ZW	0.8942
514	124	0.8942
515	SQM	0.8941
516	21D	0.8940
517	BIK	0.8940
518	TBN	0.8939
519	L3L	0.8939
520	ESI	0.8938
521	MS0	0.8936
522	K97	0.8936
523	7EL	0.8935
524	3VS	0.8935
525	MIL	0.8934
526	9BF	0.8934
527	42R	0.8933
528	4RU	0.8932
529	QMS	0.8932
530	RNK	0.8931
531	3IP	0.8931
532	6P3	0.8931
533	AUE	0.8931
534	EAT	0.8930
535	PTB	0.8930
536	5O6	0.8928
537	9OF	0.8928
538	5WK	0.8926
539	G30	0.8926
540	JY2	0.8926
541	6QT	0.8926
542	FY8	0.8925
543	NOS	0.8925
544	ZEA	0.8925
545	8G6	0.8925
546	EXD	0.8925
547	TSR	0.8923
548	CZ0	0.8921
549	5NB	0.8921
550	B23	0.8920
551	LR8	0.8920
552	BDI	0.8919
553	92P	0.8919
554	S8G	0.8919
555	L15	0.8919
556	61M	0.8919
557	3CA	0.8919
558	JXQ	0.8918
559	19E	0.8918
560	J38	0.8917
561	ARJ	0.8917
562	8OX	0.8917
563	NOC	0.8917
564	CX5	0.8917
565	S7V	0.8914
566	LJ3	0.8914
567	GZ2	0.8914
568	ENG	0.8913
569	1XS	0.8912
570	JWS	0.8912
571	B2E	0.8911
572	CMU	0.8911
573	18E	0.8911
574	5N5	0.8911
575	XDL XYP	0.8910
576	XIL	0.8910
577	MMS	0.8910
578	U13	0.8910
579	F18	0.8910
580	28N	0.8910
581	8MO	0.8909
582	5FD	0.8909
583	FM1	0.8908
584	EYV	0.8908
585	EQW	0.8908
586	1DA	0.8908
587	NB1	0.8908
588	A63	0.8908
589	3WK	0.8907
590	N8Y	0.8907
591	7G0	0.8907
592	5NS	0.8907
593	JP2	0.8907
594	NQ8	0.8907
595	5WN	0.8905
596	AD3	0.8905
597	15N	0.8905
598	WCU	0.8905
599	8HG	0.8904
600	NK5	0.8903
601	XFE	0.8902
602	PIC	0.8901
603	VPU	0.8901
604	1EB	0.8901
605	LR2	0.8901
606	M3W	0.8900
607	1KN	0.8900
608	GNM	0.8900
609	JXT	0.8899
610	FMB	0.8899
611	PXP	0.8899
612	M4E	0.8898
613	C2Y	0.8898
614	PEY	0.8898
615	MTP	0.8897
616	A	0.8897
617	RKV	0.8897
618	LWS	0.8896
619	121	0.8895
620	RAB	0.8895
621	FT2	0.8895
622	3WJ	0.8894
623	122	0.8894
624	6BK	0.8894
625	A5P	0.8894
626	AOY	0.8893
627	GI4	0.8893
628	BC3	0.8893
629	I2E	0.8892
630	9DI	0.8891
631	3UG	0.8890
632	IMH	0.8890
633	C93	0.8889
634	12R	0.8889
635	M77	0.8889
636	MQG	0.8889
637	UA2	0.8888
638	LP8	0.8888
639	OQC	0.8888
640	OX2	0.8887
641	M6P	0.8887
642	JA3	0.8887
643	5TZ	0.8887
644	3JN	0.8886
645	BVA	0.8885
646	HH6	0.8884
647	NE2	0.8884
648	THM	0.8884
649	5OO	0.8884
650	JG8	0.8882
651	MUR	0.8882
652	ENO	0.8882
653	FMC	0.8881
654	L21	0.8880
655	JYK	0.8880
656	IMG	0.8880
657	WUB	0.8880
658	BZQ	0.8879
659	P0P	0.8878
660	57D	0.8878
661	JXK	0.8877
662	NOK	0.8876
663	4UM	0.8876
664	PLR	0.8876
665	MW5	0.8876
666	AJ4	0.8875
667	M01	0.8875
668	ZME	0.8875
669	ZZA	0.8875
670	AU8	0.8875
671	14N	0.8874
672	FC2	0.8874
673	EZL	0.8874
674	N7I	0.8874
675	MJ5	0.8874
676	MR6	0.8873
677	B1J	0.8873
678	6SD	0.8873
679	3WN	0.8872
680	3WO	0.8872
681	5P3	0.8871
682	S7D	0.8871
683	MR4	0.8871
684	2J2	0.8871
685	0JD	0.8871
686	1SS	0.8871
687	IDD	0.8869
688	AX4	0.8868
689	6J5	0.8868
690	555	0.8867
691	39Z	0.8867
692	K80	0.8866
693	NYJ	0.8864
694	RKN	0.8864
695	EST	0.8864
696	5GT	0.8864
697	CUE	0.8864
698	QR2	0.8864
699	BSA	0.8864
700	XYS XYP	0.8863
701	C0H	0.8862
702	PZP	0.8862
703	PLP PMP	0.8862
704	VT3	0.8861
705	LTM	0.8860
706	27F	0.8858
707	BGP	0.8858
708	62D	0.8858
709	GNJ	0.8858
710	ELH	0.8858
711	848	0.8857
712	9FG	0.8857
713	KMP	0.8857
714	EVF	0.8857
715	PUR	0.8856
716	27B	0.8854
717	6ZE	0.8854
718	UL1	0.8854
719	DHC	0.8854
720	LJ4	0.8854
721	NIR	0.8852
722	91F	0.8850
723	27M	0.8850
724	64F	0.8849
725	KYA	0.8849
726	IAC	0.8849
727	C53	0.8849
728	6WR	0.8848
729	4CF	0.8846
730	9H2	0.8846
731	3VQ	0.8845
732	6Q3	0.8845
733	B86	0.8845
734	B0K	0.8845
735	1A7	0.8845
736	OCZ	0.8845
737	VXX	0.8844
738	1VK	0.8843
739	TB8	0.8842
740	F4K	0.8842
741	CR1	0.8842
742	ODK	0.8842
743	XTS	0.8841
744	AJD	0.8841
745	DUR	0.8841
746	3G3	0.8840
747	GJB	0.8840
748	26A	0.8840
749	TR4	0.8840
750	428	0.8840
751	DCF	0.8840
752	08C	0.8838
753	T98	0.8837
754	GHM	0.8836
755	IOS	0.8835
756	3WL	0.8834
757	92G	0.8834
758	ET0	0.8833
759	8NB	0.8833
760	2MQ	0.8833
761	H7S	0.8832
762	QIF	0.8832
763	B2L	0.8831
764	WDW	0.8831
765	GMP	0.8831
766	KLS	0.8830
767	RHN	0.8829
768	2LY	0.8828
769	3DT	0.8828
770	56N	0.8828
771	CG8	0.8827
772	M4N	0.8825
773	NPA	0.8825
774	9GP	0.8824
775	BNX	0.8824
776	8RK	0.8823
777	ALE	0.8822
778	2FA	0.8822
779	5RO	0.8820
780	12T	0.8820
781	E9P	0.8820
782	YIH	0.8819
783	SWX	0.8819
784	RCV	0.8819
785	GI1	0.8819
786	5O5	0.8818
787	9FE	0.8817
788	JYT	0.8817
789	CP7	0.8817
790	MPK	0.8816
791	2QC	0.8816
792	TYR	0.8816
793	DNF	0.8815
794	MFZ	0.8814
795	Q8G	0.8814
796	27K	0.8814
797	3LJ	0.8813
798	TYP	0.8812
799	BEU	0.8810
800	ZIQ	0.8809
801	NDG	0.8809
802	MI2	0.8808
803	68B	0.8808
804	M6Z	0.8807
805	BHQ	0.8806
806	A4N	0.8806
807	HA5	0.8806
808	KW8	0.8804
809	DTY	0.8804
810	X11	0.8803
811	DNA	0.8803
812	NPL	0.8803
813	PK3	0.8802
814	6X9	0.8802
815	3VW	0.8800
816	N18	0.8800
817	L03	0.8799
818	D6G	0.8799
819	BPU	0.8798
820	S7S	0.8798
821	4G2	0.8796
822	TJM	0.8796
823	VM1	0.8796
824	MR5	0.8795
825	6WL	0.8794
826	2L1	0.8794
827	5XM	0.8794
828	IQZ	0.8794
829	IS2	0.8794
830	GB5	0.8793
831	GLP	0.8793
832	A6P	0.8793
833	BHM	0.8793
834	LO1	0.8793
835	CH8	0.8793
836	UN9	0.8792
837	4EU	0.8791
838	Z94	0.8791
839	ALX	0.8791
840	1EL	0.8790
841	0LA	0.8789
842	GOE	0.8789
843	6CR	0.8789
844	NXB	0.8788
845	0ON	0.8788
846	TNX	0.8788
847	I4D	0.8788
848	LAH	0.8787
849	DDC	0.8787
850	7I2	0.8787
851	3JC	0.8787
852	TXW	0.8787
853	FTU	0.8786
854	YIP	0.8786
855	RCM	0.8786
856	8W9	0.8783
857	9CA	0.8783
858	AJY	0.8782
859	38E	0.8781
860	4ZF	0.8780
861	CFA	0.8779
862	JFS	0.8779
863	IXM	0.8779
864	PF1	0.8779
865	NQH	0.8779
866	MAJ	0.8778
867	JMG	0.8777
868	A4V	0.8777
869	PUE	0.8777
870	6J9	0.8776
871	Q9P	0.8776
872	51Y	0.8775
873	3XH	0.8774
874	0LO	0.8774
875	9FL	0.8774
876	K44	0.8773
877	EAJ	0.8772
878	GC2	0.8771
879	5XK	0.8771
880	XRS	0.8771
881	1UZ	0.8770
882	613	0.8768
883	N4E	0.8768
884	M6D	0.8768
885	5TT	0.8767
886	UFO	0.8767
887	1IT	0.8767
888	SOV	0.8766
889	5ID	0.8766
890	0DN	0.8765
891	FM2	0.8764
892	ISC	0.8764
893	SGW	0.8763
894	IYR	0.8763
895	CFE	0.8762
896	QUB	0.8762
897	8HH	0.8762
898	2JK	0.8761
899	M2E	0.8760
900	ANB	0.8760
901	ESX	0.8759
902	1SV	0.8759
903	EN1	0.8758
904	LOG	0.8757
905	L22	0.8757
906	9NB	0.8757
907	K25	0.8757
908	DEW	0.8755
909	4AF	0.8755
910	AGI	0.8755
911	NU3	0.8754
912	50C	0.8754
913	Y3J	0.8753
914	6E8	0.8753
915	AUV	0.8753
916	J1K	0.8753
917	J3Z	0.8753
918	PTS	0.8752
919	CKA	0.8752
920	PCQ	0.8751
921	CU8	0.8751
922	536	0.8751
923	AZY	0.8751
924	69K	0.8751
925	XYS XYS	0.8751
926	CLI	0.8751
927	3QI	0.8750
928	XYP XYS	0.8750
929	PNP	0.8749
930	RPP	0.8748
931	8UY	0.8747
932	CBE	0.8747
933	MCY	0.8747
934	AZM	0.8747
935	8ZE	0.8747
936	4MP	0.8747
937	2LW	0.8746
938	372	0.8745
939	W29	0.8745
940	MJW	0.8745
941	XDK	0.8744
942	DT9	0.8744
943	U7E	0.8744
944	OTA	0.8744
945	GRX	0.8743
946	QBP	0.8743
947	CEG	0.8743
948	M83	0.8743
949	M3E	0.8742
950	1OT	0.8742
951	V13	0.8741
952	ALR	0.8741
953	1YO	0.8740
954	ZYV	0.8740
955	M3Q	0.8740
956	CSN	0.8740
957	WG8	0.8739
958	4NP	0.8739
959	Q11	0.8738
960	0OL	0.8738
961	244	0.8737
962	EGR	0.8737
963	6VW	0.8737
964	0HO	0.8737
965	A4T	0.8737
966	2KU	0.8736
967	GJW	0.8736
968	96U	0.8736
969	NGA	0.8736
970	80G	0.8735
971	D87	0.8735
972	G14	0.8735
973	B98	0.8734
974	3RP	0.8734
975	CC6	0.8732
976	TID	0.8732
977	K3D	0.8731
978	DCZ	0.8731
979	A8D	0.8730
980	1KX	0.8730
981	JHY	0.8730
982	34L	0.8729
983	F01	0.8729
984	BJ4	0.8725
985	5H6	0.8725
986	KLK	0.8725
987	K68	0.8725
988	CLZ	0.8725
989	9B3	0.8724
990	CUH	0.8724
991	2AN	0.8723
992	HHV	0.8723
993	R9Y	0.8722
994	GC3	0.8722
995	6NI	0.8722
996	5FL	0.8720
997	ASD	0.8720
998	GJG	0.8719
999	5F8	0.8719
1000	A5E	0.8719
1001	UQ1	0.8718
1002	FTV	0.8715
1003	1V8	0.8715
1004	TYC	0.8715
1005	AKD	0.8714
1006	4FP	0.8714
1007	9F8	0.8714
1008	7FZ	0.8714
1009	1F1	0.8714
1010	5LA	0.8714
1011	H70	0.8713
1012	8V8	0.8712
1013	GAL FUC	0.8712
1014	H5B	0.8711
1015	TLG	0.8710
1016	0XT	0.8710
1017	ATX	0.8709
1018	HC4	0.8709
1019	AAN	0.8708
1020	36M	0.8707
1021	AON	0.8707
1022	ESP	0.8706
1023	NHT	0.8706
1024	DQU	0.8706
1025	GF4	0.8705
1026	DX7	0.8704
1027	ST3	0.8703
1028	QX4	0.8702
1029	NE1	0.8700
1030	F2W	0.8699
1031	HJH	0.8699
1032	JAW	0.8699
1033	6ME	0.8699
1034	4MB	0.8698
1035	0QA	0.8697
1036	WVV	0.8695
1037	L07	0.8694
1038	4F8	0.8694
1039	HNL	0.8693
1040	JPQ	0.8692
1041	977	0.8691
1042	PFF	0.8691
1043	878	0.8689
1044	0HN	0.8689
1045	6J3	0.8689
1046	IA2	0.8688
1047	Q9T	0.8685
1048	KU1	0.8685
1049	E7S	0.8684
1050	IQQ	0.8684
1051	IIH	0.8683
1052	KCH	0.8683
1053	BZE	0.8681
1054	K75	0.8680
1055	DDU	0.8680
1056	BZ2	0.8680
1057	C09	0.8679
1058	VYM	0.8679
1059	96R	0.8679
1060	5NI	0.8679
1061	PJW	0.8678
1062	7G2	0.8677
1063	OPA	0.8677
1064	STX	0.8675
1065	28B	0.8675
1066	NWW	0.8675
1067	JDN	0.8675
1068	BY5	0.8675
1069	802	0.8675
1070	KLE	0.8674
1071	6DH	0.8674
1072	BDJ	0.8674
1073	64E	0.8673
1074	ESZ	0.8671
1075	7O4	0.8671
1076	531	0.8671
1077	JB8	0.8671
1078	MAG	0.8670
1079	72E	0.8669
1080	3A9	0.8669
1081	TIY	0.8669
1082	GAT	0.8669
1083	RFZ	0.8667
1084	VJJ	0.8667
1085	DKZ	0.8666
1086	WOE	0.8666
1087	CTN	0.8666
1088	TCL	0.8665
1089	3TV	0.8664
1090	LZJ	0.8664
1091	MG7	0.8663
1092	4NS	0.8663
1093	IPD	0.8663
1094	ST1	0.8662
1095	P81	0.8661
1096	PPY	0.8661
1097	FHI	0.8660
1098	ZYW	0.8660
1099	RKY	0.8659
1100	ICB	0.8659
1101	PH3	0.8657
1102	6NT	0.8657
1103	MQU	0.8655
1104	5NE	0.8655
1105	SX3	0.8655
1106	I59	0.8654
1107	MOK	0.8654
1108	AP4	0.8654
1109	9VQ	0.8654
1110	SRO	0.8653
1111	1Z6	0.8652
1112	4I5	0.8651
1113	5F5	0.8651
1114	CH9	0.8651
1115	205	0.8650
1116	17M	0.8650
1117	MTA	0.8650
1118	6MW	0.8650
1119	COL	0.8649
1120	6ZX	0.8649
1121	A51	0.8649
1122	5SD	0.8649
1123	Q4G	0.8648
1124	LEL	0.8648
1125	55D	0.8648
1126	6JO	0.8647
1127	A7K	0.8646
1128	LFQ	0.8646
1129	CLU	0.8646
1130	72D	0.8645
1131	SDN	0.8645
1132	A2G	0.8644
1133	DFV	0.8643
1134	38B	0.8643
1135	MZR	0.8643
1136	LC1	0.8642
1137	AOX	0.8640
1138	MBY	0.8638
1139	CCV	0.8638
1140	QUS	0.8638
1141	TES	0.8637
1142	J6W	0.8636
1143	BRY	0.8636
1144	BIH	0.8636
1145	PRF	0.8636
1146	88X	0.8636
1147	TSS	0.8635
1148	S8J	0.8635
1149	0OP	0.8634
1150	0FO	0.8633
1151	GT1	0.8633
1152	SNV	0.8632
1153	DX6	0.8632
1154	L1T	0.8631
1155	FC3	0.8630
1156	8CC	0.8628
1157	5E4	0.8628
1158	NAR	0.8628
1159	NBG	0.8627
1160	4BF	0.8626
1161	TI7	0.8626
1162	RYV	0.8625
1163	GI3	0.8625
1164	PQ0	0.8625
1165	EXX	0.8624
1166	VIB	0.8624
1167	CWE	0.8623
1168	JMQ	0.8621
1169	WA1	0.8621
1170	R7T	0.8620
1171	774	0.8619
1172	44W	0.8619
1173	DNC	0.8618
1174	MBT	0.8616
1175	4FC	0.8612
1176	6XC	0.8611
1177	JXW	0.8611
1178	LVD	0.8611
1179	MVN	0.8610
1180	3XR	0.8610
1181	YO5	0.8610
1182	2KA	0.8609
1183	X6P	0.8608
1184	P80	0.8608
1185	NFM	0.8608
1186	535	0.8607
1187	4CM	0.8607
1188	SU9	0.8604
1189	LU2	0.8603
1190	67Y	0.8602
1191	7A9	0.8601
1192	S8A	0.8601
1193	HX4	0.8600
1194	3NY	0.8600
1195	BIE	0.8599
1196	ALN	0.8599
1197	D3G	0.8597
1198	NLA	0.8597
1199	36E	0.8595
1200	LIP	0.8594
1201	11X	0.8594
1202	8OB	0.8593
1203	QBM	0.8591
1204	DHT	0.8591
1205	GVI	0.8590
1206	2ZM	0.8590
1207	KY3	0.8589
1208	PBQ	0.8589
1209	DX3	0.8589
1210	6C9	0.8586
1211	MSR	0.8586
1212	AGV	0.8585
1213	ESL	0.8585
1214	4LW	0.8585
1215	K82	0.8585
1216	BM3	0.8582
1217	I3E	0.8582
1218	XM5	0.8581
1219	MTS	0.8580
1220	A1Y	0.8579
1221	N2I	0.8579
1222	GF1	0.8579
1223	DBQ	0.8579
1224	MQR	0.8577
1225	TZM	0.8577
1226	BRH	0.8577
1227	0W1	0.8576
1228	AOM	0.8572
1229	FBC	0.8572
1230	JAK	0.8570
1231	0XR	0.8568
1232	TLE	0.8567
1233	XHP	0.8566
1234	AOI	0.8566
1235	DCN	0.8565
1236	W8G	0.8564
1237	STT	0.8563
1238	TWO	0.8557
1239	IM5	0.8556
1240	AND	0.8555
1241	OSB	0.8553
1242	7KB	0.8552
1243	2UZ	0.8549
1244	GG8	0.8548
1245	6JM	0.8546
1246	S62	0.8545
1247	RH1	0.8543
1248	9RM	0.8542
1249	LVE	0.8541
1250	H52	0.8541
1251	J84	0.8541
1252	BX4	0.8540
1253	ADL	0.8540
1254	TT4	0.8538
1255	MER	0.8538
1256	QUE	0.8537
1257	ABF	0.8532
1258	R18	0.8527
1259	TQU	0.8527
1260	2OX	0.8521
1261	AJ6	0.8520
1262	51P	0.8518
1263	1PS	0.8516
1264	B2X	0.8516
1265	URI	0.8515
1266	KJ5	0.8514
1267	A4Q	0.8514
1268	4LV	0.8504
1269	AVO	0.8503

Ligand no: 2; Ligand: TIH; Similar ligands found: 634

No:	Ligand	Similarity coefficient
1	HIS	0.9924
2	4LV	0.9783
3	AKG	0.9770
4	DYT	0.9752
5	NFA	0.9744
6	PPY	0.9728
7	AOT	0.9691
8	4LW	0.9655
9	HFA	0.9642
10	OGA	0.9591
11	HSO	0.9589
12	GLU	0.9582
13	BNL	0.9575
14	2HG	0.9575
15	LVD	0.9569
16	S2G	0.9549
17	HIC	0.9548
18	SHI	0.9548
19	R9M	0.9547
20	DHI	0.9534
21	J9N	0.9521
22	B3U	0.9499
23	AHN	0.9491
24	HCI	0.9489
25	URQ	0.9488
26	B40	0.9471
27	HHI	0.9460
28	DE5	0.9459
29	IWT	0.9453
30	PCS	0.9451
31	ONL	0.9435
32	M74	0.9435
33	9ON	0.9428
34	GLN	0.9427
35	HX4	0.9427
36	3LR	0.9426
37	0A9	0.9423
38	LYS	0.9415
39	O45	0.9415
40	K7M	0.9401
41	BRH	0.9398
42	MSR	0.9392
43	R20	0.9390
44	PO6	0.9388
45	GGL	0.9383
46	HL5	0.9383
47	NCT	0.9375
48	A5E	0.9374
49	S2P	0.9373
50	4BF	0.9370
51	2IT	0.9364
52	XIZ	0.9362
53	M45	0.9356
54	PFF	0.9346
55	HF2	0.9342
56	ESX	0.9334
57	ESP	0.9328
58	HQJ	0.9327
59	M6H	0.9326
60	S8V	0.9322
61	7BC	0.9318
62	TYR	0.9316
63	TYC	0.9312
64	3PG	0.9312
65	RMN	0.9308
66	SMN	0.9305
67	KDG	0.9303
68	K34	0.9301
69	7VP	0.9300
70	XDK	0.9297
71	URO	0.9296
72	L5V	0.9295
73	OOG	0.9294
74	GUA	0.9294
75	HJH	0.9289
76	R2P	0.9286
77	33S	0.9286
78	MPV	0.9286
79	HL4	0.9283
80	1BN	0.9281
81	HNL	0.9280
82	3YP	0.9277
83	ALA ALA	0.9275
84	PJW	0.9273
85	6JN	0.9271
86	DGN	0.9269
87	CPZ	0.9269
88	DLY	0.9265
89	173	0.9263
90	36Y	0.9259
91	DZA	0.9259
92	TCA	0.9257
93	UN1	0.9256
94	7OD	0.9253
95	4PN	0.9252
96	HNH	0.9250
97	Q04	0.9250
98	3A9	0.9248
99	49F	0.9247
100	RQD	0.9246
101	GVG	0.9246
102	AL0	0.9245
103	RAT	0.9243
104	0VT	0.9241
105	Q06	0.9241
106	JF6	0.9237
107	GPF	0.9236
108	BZ2	0.9234
109	TYL	0.9230
110	FK8	0.9229
111	SME	0.9224
112	1L5	0.9223
113	DIR	0.9222
114	CCU	0.9222
115	K6H	0.9219
116	0OC	0.9216
117	KTJ	0.9215
118	OEG	0.9215
119	M3H	0.9211
120	SEP	0.9209
121	ORN	0.9209
122	TYE	0.9209
123	LFC	0.9204
124	HGA	0.9201
125	CXP	0.9199
126	BHO	0.9198
127	PIM	0.9198
128	DTY	0.9193
129	CH9	0.9193
130	PBA	0.9191
131	92G	0.9191
132	13P	0.9190
133	LYN	0.9190
134	ASN	0.9189
135	9RW	0.9186
136	BPY	0.9186
137	9YT	0.9185
138	8GL	0.9185
139	TT4	0.9184
140	2FM	0.9179
141	FBM	0.9178
142	PH3	0.9178
143	BNF	0.9177
144	HNK	0.9175
145	6FZ	0.9174
146	9J3	0.9172
147	ONH	0.9171
148	SD4	0.9167
149	HG3	0.9166
150	A09	0.9162
151	EN1	0.9156
152	MF3	0.9155
153	ISZ	0.9154
154	PHI	0.9153
155	JB8	0.9153
156	1SA	0.9153
157	SNU	0.9152
158	DGL	0.9152
159	F06	0.9151
160	Q9Z	0.9151
161	4TB	0.9151
162	GPJ	0.9150
163	SYM	0.9150
164	CFI	0.9150
165	MUC	0.9149
166	3HG	0.9149
167	APG	0.9149
168	URS	0.9145
169	4P5	0.9145
170	NNH	0.9144
171	3QO	0.9138
172	KMH	0.9136
173	AVI	0.9134
174	P58	0.9133
175	56D	0.9132
176	PZI	0.9130
177	PMF	0.9130
178	MEQ	0.9130
179	268	0.9130
180	ENO	0.9129
181	PAC	0.9124
182	C1M	0.9124
183	RLG	0.9124
184	0BP	0.9122
185	MLT	0.9121
186	URP	0.9120
187	OSE	0.9119
188	1Z6	0.9118
189	N4B	0.9113
190	F9P	0.9108
191	SOR	0.9106
192	GLY GLY	0.9105
193	JRB	0.9105
194	0NX	0.9101
195	PEP	0.9099
196	5WZ	0.9099
197	MHO	0.9097
198	ISA	0.9096
199	PGH	0.9094
200	J0Z	0.9090
201	2UB	0.9088
202	DAH	0.9087
203	GJZ	0.9086
204	PNZ	0.9086
205	Z70	0.9085
206	4HP	0.9084
207	PMB	0.9084
208	MLE	0.9083
209	MNN	0.9080
210	PIY	0.9076
211	HHH	0.9076
212	AMQ	0.9075
213	EVF	0.9075
214	JDN	0.9075
215	1A7	0.9074
216	Q03	0.9072
217	OAA	0.9071
218	9ZE	0.9071
219	A29	0.9070
220	XRG	0.9068
221	HPS	0.9068
222	7C3	0.9065
223	HPV	0.9065
224	50C	0.9065
225	MAH	0.9065
226	MES	0.9062
227	J9T	0.9058
228	PRA	0.9055
229	6TZ	0.9054
230	ONR	0.9054
231	E0O	0.9051
232	DXG	0.9050
233	IZC	0.9050
234	NLE	0.9048
235	X48	0.9047
236	M4T	0.9046
237	0F9	0.9044
238	C53	0.9043
239	SYC	0.9041
240	DHY	0.9040
241	15N	0.9040
242	I4B	0.9040
243	HDH	0.9038
244	RNO	0.9038
245	J9Q	0.9037
246	N9J	0.9036
247	11C	0.9035
248	3QM	0.9034
249	GRO	0.9034
250	4LR	0.9033
251	3VW	0.9031
252	D3G	0.9030
253	FUD	0.9027
254	52C	0.9027
255	8SZ	0.9026
256	5XB	0.9024
257	CS2	0.9023
258	PBN	0.9022
259	BHH	0.9022
260	1DJ	0.9022
261	6M4	0.9022
262	7QS	0.9020
263	I38	0.9019
264	CCE	0.9019
265	G3H	0.9019
266	ICB	0.9018
267	7O4	0.9015
268	650	0.9015
269	QMP	0.9011
270	SNO	0.9008
271	7Q1	0.9006
272	F4E	0.9006
273	9RH	0.9006
274	RUJ	0.9005
275	3H2	0.9005
276	FOC	0.9005
277	MMS	0.9003
278	ASP	0.9003
279	3SL	0.9003
280	2HC	0.9002
281	5NI	0.9000
282	NYL	0.9000
283	G3P	0.8997
284	B85	0.8996
285	CK2	0.8994
286	C82	0.8992
287	QY9	0.8992
288	46P	0.8991
289	LEU	0.8990
290	GLR	0.8989
291	IAC	0.8989
292	264	0.8984
293	AMH	0.8983
294	FHC	0.8981
295	9W5	0.8980
296	GZ2	0.8978
297	GP9	0.8978
298	GLO	0.8977
299	NIZ	0.8977
300	36E	0.8977
301	ALE	0.8975
302	E79	0.8975
303	GGB	0.8974
304	IYR	0.8971
305	7UC	0.8971
306	GVY	0.8969
307	PPT	0.8969
308	3CR	0.8968
309	P7Y	0.8968
310	61M	0.8968
311	97T	0.8967
312	DAL DAL	0.8967
313	ZGL	0.8967
314	PJL	0.8965
315	PGA	0.8965
316	R9J	0.8961
317	YOF	0.8960
318	FB2	0.8957
319	BTM	0.8957
320	RNS	0.8957
321	RA7	0.8957
322	1X4	0.8956
323	3OL	0.8955
324	AEG	0.8953
325	3C4	0.8953
326	8EW	0.8952
327	SKJ	0.8950
328	J6W	0.8950
329	7UZ	0.8949
330	TAG	0.8948
331	MTL	0.8948
332	LMR	0.8948
333	MSL	0.8946
334	1WC	0.8944
335	129	0.8944
336	3OM	0.8942
337	KMT	0.8941
338	MET	0.8940
339	MPK	0.8940
340	ACA	0.8939
341	CHH	0.8939
342	CCD	0.8933
343	IP8	0.8933
344	Q02	0.8929
345	DEZ	0.8929
346	LY0	0.8929
347	L14	0.8928
348	4FA	0.8927
349	0L1	0.8926
350	SV4	0.8925
351	AEF	0.8924
352	717	0.8922
353	HC4	0.8920
354	QUS	0.8919
355	L13	0.8915
356	6HO	0.8915
357	GVM	0.8914
358	SSC	0.8914
359	152	0.8913
360	8OZ	0.8912
361	BPN	0.8912
362	OKG	0.8910
363	XIY	0.8909
364	0JD	0.8908
365	23J	0.8908
366	AHC	0.8907
367	TLA	0.8906
368	TPA	0.8903
369	3HP	0.8901
370	LNR	0.8901
371	258	0.8901
372	9SE	0.8899
373	P80	0.8895
374	RNT	0.8894
375	AT3	0.8893
376	2D8	0.8892
377	BVA	0.8892
378	M5E	0.8891
379	AG2	0.8891
380	HDL	0.8888
381	TPO	0.8888
382	2FT	0.8887
383	MZT	0.8887
384	DHC	0.8887
385	I1E	0.8886
386	7MU	0.8886
387	SRT	0.8885
388	4XF	0.8885
389	XYH	0.8885
390	SOL	0.8884
391	2BG	0.8884
392	1XA	0.8884
393	LPK	0.8883
394	TZM	0.8883
395	SPV	0.8883
396	M72	0.8882
397	CK1	0.8881
398	MAJ	0.8880
399	LT1	0.8879
400	363	0.8879
401	FBJ	0.8879
402	LDP	0.8879
403	E4P	0.8877
404	0V5	0.8876
405	HBU	0.8876
406	RBL	0.8875
407	PRO GLY	0.8875
408	P81	0.8875
409	492	0.8873
410	FZM	0.8872
411	S0W	0.8871
412	N6C	0.8871
413	B2Y	0.8871
414	A3M	0.8869
415	S7A	0.8868
416	ACH	0.8867
417	EXD	0.8867
418	GCO	0.8865
419	AMS	0.8861
420	DEW	0.8860
421	1VK	0.8859
422	C5A	0.8858
423	XBT	0.8858
424	DHM	0.8857
425	YIE	0.8856
426	TEO	0.8855
427	EOU	0.8854
428	5VL	0.8854
429	T2D	0.8853
430	ITN	0.8853
431	FBF	0.8852
432	LNO	0.8851
433	DC5	0.8851
434	CLT	0.8851
435	IXW	0.8848
436	2QC	0.8848
437	1GP	0.8848
438	4BZ	0.8847
439	TZF	0.8847
440	TMG	0.8847
441	FEH	0.8846
442	PSJ	0.8846
443	IOM	0.8846
444	ARG	0.8844
445	SAF	0.8844
446	KTA	0.8843
447	XCG	0.8842
448	1M2	0.8840
449	L99	0.8840
450	PPR	0.8839
451	PSE	0.8836
452	NM2	0.8836
453	N2Z	0.8835
454	TZL	0.8835
455	SSB	0.8834
456	A9P	0.8833
457	YZM	0.8830
458	2BX	0.8830
459	HXY	0.8829
460	9X6	0.8829
461	ROR	0.8828
462	3BU	0.8828
463	TAR	0.8826
464	GWM	0.8825
465	CRN	0.8821
466	PEQ	0.8821
467	F4K	0.8821
468	2F6	0.8821
469	0A1	0.8820
470	795	0.8819
471	CFA	0.8819
472	FOM	0.8818
473	HPP	0.8818
474	TB8	0.8816
475	SDD	0.8816
476	OTR	0.8816
477	7N0	0.8814
478	KPC	0.8813
479	EQW	0.8813
480	SIN	0.8813
481	SHV	0.8812
482	DXP	0.8812
483	FAN	0.8811
484	DII	0.8808
485	HIO	0.8808
486	LTL	0.8807
487	K80	0.8806
488	JZA	0.8805
489	LZ5	0.8804
490	428	0.8804
491	YRL	0.8804
492	CMS	0.8803
493	1PS	0.8799
494	XUL	0.8798
495	XLS	0.8798
496	ASC	0.8798
497	NM3	0.8797
498	LGT	0.8797
499	41K	0.8796
500	12T	0.8795
501	HA5	0.8795
502	6ZX	0.8793
503	YPN	0.8791
504	5FX	0.8789
505	92K	0.8788
506	ILO	0.8787
507	E3X	0.8786
508	2FX	0.8784
509	ZBT	0.8783
510	2C2	0.8783
511	FA1	0.8782
512	HWD	0.8780
513	LSQ	0.8778
514	3S5	0.8778
515	DAR	0.8778
516	RB5	0.8777
517	XYL	0.8777
518	X1S	0.8774
519	DI6	0.8773
520	PLU	0.8773
521	XDE	0.8771
522	SKM	0.8770
523	PC	0.8769
524	AVJ	0.8768
525	GLY ALA	0.8765
526	MSE	0.8765
527	FF3	0.8765
528	RP3	0.8764
529	9GB	0.8764
530	TEG	0.8762
531	791	0.8759
532	BQ2	0.8758
533	MED	0.8758
534	PZM	0.8754
535	Y4L	0.8753
536	G14	0.8751
537	ATX	0.8749
538	GNW	0.8745
539	RTK	0.8744
540	CLU	0.8744
541	FUM	0.8744
542	DAS	0.8742
543	NF3	0.8741
544	2B4	0.8736
545	CXF	0.8736
546	GT4	0.8735
547	CIR	0.8734
548	5XA	0.8733
549	069	0.8728
550	PKU	0.8727
551	1H1	0.8726
552	EDR	0.8726
553	MAE	0.8726
554	NMH	0.8721
555	BP7	0.8720
556	B09	0.8718
557	80G	0.8716
558	PAH	0.8716
559	ZZA	0.8713
560	6J5	0.8709
561	4MV	0.8709
562	ENV	0.8707
563	KYN	0.8705
564	FF2	0.8704
565	98J	0.8704
566	QDK	0.8704
567	AFS	0.8703
568	HYA	0.8702
569	MXD	0.8700
570	OHP	0.8698
571	LLH	0.8698
572	IVL	0.8695
573	X1R	0.8694
574	AOS	0.8691
575	FMQ	0.8688
576	BP3	0.8687
577	JYD	0.8686
578	54D	0.8685
579	9PL	0.8682
580	JAH	0.8679
581	263	0.8678
582	2AL	0.8674
583	3AL	0.8674
584	DER	0.8673
585	F90	0.8670
586	AX3	0.8666
587	NLP	0.8663
588	4Z3	0.8661
589	DS0	0.8661
590	QFJ	0.8659
591	C0H	0.8648
592	VXX	0.8647
593	DAV	0.8646
594	HPN	0.8640
595	EYV	0.8640
596	4NZ	0.8639
597	NFM	0.8635
598	5OO	0.8635
599	M4S	0.8634
600	6HX	0.8632
601	MEV	0.8631
602	2EH	0.8628
603	SHF	0.8626
604	HSX	0.8624
605	3MV	0.8621
606	N2Y	0.8618
607	SQ4	0.8617
608	THE	0.8615
609	8U3	0.8614
610	MPJ	0.8607
611	Z5P	0.8606
612	GBN	0.8604
613	E35	0.8602
614	6NA	0.8602
615	MT2	0.8602
616	S7J	0.8598
617	I3E	0.8591
618	SQ7	0.8579
619	64Z	0.8575
620	VKC	0.8573
621	NSB	0.8572
622	7MK	0.8571
623	OCA	0.8566
624	SG3	0.8565
625	ERZ	0.8558
626	QIC	0.8545
627	HX2	0.8544
628	HYP	0.8543
629	JPQ	0.8538
630	OQC	0.8538
631	40F	0.8537
632	6C5	0.8530
633	449	0.8529
634	ZZU	0.8528

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

Pocket No.: 1; Query (leader) PDB : 4ANP; Ligand: 3QI; 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: 4anp.bio1) has 31 residues
No:	Leader PDB	Ligand	Sequence Similarity

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