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Showing PDB: 1G0R

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Receptor | Ligand | View in 3D

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

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      Structure Biounit | Ligand Information

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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
1G0R	1.87 Å	EC: 2.7.7.74	THE STRUCTURAL BASIS OF THE CATALYTIC MECHANISM AND REGULATI GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE (RMLA). THYMIDINE1 -PHOSPHATE COMPLEX.	PSEUDOMONAS AERUGINOSA	L-RHAMNOSE NUCLEOTIDYLTRANSFERASE PYROPHOSPHORYLASE THYMIDYLYLTRANSFERASE ALLOSTERY TRANSFERASE
Ref.:	THE STRUCTURAL BASIS OF THE CATALYTIC MECHANISM AND REGULATION OF GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFE (RMLA). EMBO J. V. 19 6652 2000

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	NGL Viewer	Molecular Weight (Da)	Formula	SMILES
G1P	A:2500; B:2501; C:2502; D:2503; E:2504; G:2505; H:2506;	Valid; Valid; Valid; Valid; Valid; Valid; Valid;	none; none; none; none; none; none; none;	submit data		260.136	C6 H13 O9 P	C([C@...
SO4	A:2507; A:2508; B:2510; B:2511; B:2528; C:2509; C:2513; C:2515; D:2512; D:2514; D:2516; D:2517; E:2520; E:2527; F:2519; F:2521; F:2522; F:2524; G:2523; G:2525; H:2518; H:2526; H:2529;	Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid;	none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none;	submit data		96.063	O4 S	[O-]S...
THM	A:2530; A:2538; B:2531; B:2539; C:2532; C:2540; D:2533; D:2541; E:2534; E:2542; F:2535; F:2543; G:2536; G:2544; H:2537; H:2545;	Valid; Valid; Valid; Valid; Valid; Valid; Valid; Valid; Valid; Valid; Valid; Valid; Valid; Valid; Valid; Valid;	none; none; none; none; none; none; none; none; none; none; none; none; none; none; none; none;	submit data		242.229	C10 H14 N2 O5	CC1=C...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
4ASJ	2.25 Å	EC: 2.7.7.74	PSEUDOMONAS AERUGINOSA RMLA IN COMPLEX WITH ALLOSTERIC INHIB	PSEUDOMONAS AERUGINOSA	TRANSFERASE
Ref.:	ALLOSTERIC COMPETITIVE INHIBITORS OF THE GLUCOSE-1-THYMIDYLYLTRANSFERASE (RMLA) FROM PSEUDOMONAS AERUG ACS CHEM. BIOL. V. 8 387 2013

Members (16)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1 families.
1	4ASJ	Kd = 0.028 uM	N6A	C18 H18 N4 O4 S	CN(C1=C(N(....
2	1G1L	-	DAU	C16 H26 N2 O16 P2	CC1=CN(C(=....
3	4B42	-	942	C16 H20 N4 O3	CCCCN1C(=C....
4	4B4G	ic50 = 0.175 uM	KKT	C16 H22 N4 O4 S	CCCCS(=O)(....
5	4B4B	-	GJB	C12 H12 N2 O3	c1ccc(cc1)....
6	4B4M	ic50 = 0.205 uM	JWT	C18 H17 F N4 O4 S	CN(C1=C(N(....
7	3ZLK	ic50 = 1.32 uM	Y46	C17 H16 N4 O4 S	c1ccc(cc1)....
8	4B2W	-	BZ0	C18 H16 N4 O3	c1ccc(cc1)....
9	1G0R	-	THM	C10 H14 N2 O5	CC1=CN(C(=....
10	4ARW	Kd = 0.074 uM	HNR	C15 H20 N4 O4 S	CCCCN1C(=C....
11	3ZLL	Kd = 0.395 uM	4WF	C11 H11 N3 O3	c1ccc(cc1)....
12	4B5B	ic50 = 0.387 uM	BBE	C19 H20 N4 O4 S	Cc1cccc(c1....
13	4ASY	-	N5Y	C19 H18 N4 O3	CN(C1=C(N(....
14	1FXO	-	TMP	C10 H15 N2 O8 P	CC1=CN(C(=....
15	4B3U	ic50 = 4.7 uM	NWL	C13 H16 N4 O2	CCNC1=C(N(....
16	4B2X	-	NIQ	C13 H22 N4 O2	CCCCN1C(=C....

70% Homology Family (24)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1 families.
1	4ASJ	Kd = 0.028 uM	N6A	C18 H18 N4 O4 S	CN(C1=C(N(....
2	1G1L	-	DAU	C16 H26 N2 O16 P2	CC1=CN(C(=....
3	4B42	-	942	C16 H20 N4 O3	CCCCN1C(=C....
4	4B4G	ic50 = 0.175 uM	KKT	C16 H22 N4 O4 S	CCCCS(=O)(....
5	4B4B	-	GJB	C12 H12 N2 O3	c1ccc(cc1)....
6	4B4M	ic50 = 0.205 uM	JWT	C18 H17 F N4 O4 S	CN(C1=C(N(....
7	3ZLK	ic50 = 1.32 uM	Y46	C17 H16 N4 O4 S	c1ccc(cc1)....
8	4B2W	-	BZ0	C18 H16 N4 O3	c1ccc(cc1)....
9	1G0R	-	THM	C10 H14 N2 O5	CC1=CN(C(=....
10	4ARW	Kd = 0.074 uM	HNR	C15 H20 N4 O4 S	CCCCN1C(=C....
11	3ZLL	Kd = 0.395 uM	4WF	C11 H11 N3 O3	c1ccc(cc1)....
12	4B5B	ic50 = 0.387 uM	BBE	C19 H20 N4 O4 S	Cc1cccc(c1....
13	4ASY	-	N5Y	C19 H18 N4 O3	CN(C1=C(N(....
14	1FXO	-	TMP	C10 H15 N2 O8 P	CC1=CN(C(=....
15	4B3U	ic50 = 4.7 uM	NWL	C13 H16 N4 O2	CCNC1=C(N(....
16	4B2X	-	NIQ	C13 H22 N4 O2	CCCCN1C(=C....
17	1IIM	-	TTP	C10 H17 N2 O14 P3	CC1=CN(C(=....
18	1IIN	-	UPG	C15 H24 N2 O17 P2	C1=CN(C(=O....
19	1MP3	-	TTP	C10 H17 N2 O14 P3	CC1=CN(C(=....
20	1MP4	-	UPG	C15 H24 N2 O17 P2	C1=CN(C(=O....
21	3PKQ	-	DGT	C10 H16 N5 O13 P3	c1nc2c(n1[....
22	6B5E	-	TYD	C10 H16 N2 O11 P2	CC1=CN(C(=....
23	6B5K	-	TYD	C10 H16 N2 O11 P2	CC1=CN(C(=....
24	1LVW	-	TYD	C10 H16 N2 O11 P2	CC1=CN(C(=....

50% Homology Family (24)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1 families.
1	4ASJ	Kd = 0.028 uM	N6A	C18 H18 N4 O4 S	CN(C1=C(N(....
2	1G1L	-	DAU	C16 H26 N2 O16 P2	CC1=CN(C(=....
3	4B42	-	942	C16 H20 N4 O3	CCCCN1C(=C....
4	4B4G	ic50 = 0.175 uM	KKT	C16 H22 N4 O4 S	CCCCS(=O)(....
5	4B4B	-	GJB	C12 H12 N2 O3	c1ccc(cc1)....
6	4B4M	ic50 = 0.205 uM	JWT	C18 H17 F N4 O4 S	CN(C1=C(N(....
7	3ZLK	ic50 = 1.32 uM	Y46	C17 H16 N4 O4 S	c1ccc(cc1)....
8	4B2W	-	BZ0	C18 H16 N4 O3	c1ccc(cc1)....
9	1G0R	-	THM	C10 H14 N2 O5	CC1=CN(C(=....
10	4ARW	Kd = 0.074 uM	HNR	C15 H20 N4 O4 S	CCCCN1C(=C....
11	3ZLL	Kd = 0.395 uM	4WF	C11 H11 N3 O3	c1ccc(cc1)....
12	4B5B	ic50 = 0.387 uM	BBE	C19 H20 N4 O4 S	Cc1cccc(c1....
13	4ASY	-	N5Y	C19 H18 N4 O3	CN(C1=C(N(....
14	1FXO	-	TMP	C10 H15 N2 O8 P	CC1=CN(C(=....
15	4B3U	ic50 = 4.7 uM	NWL	C13 H16 N4 O2	CCNC1=C(N(....
16	4B2X	-	NIQ	C13 H22 N4 O2	CCCCN1C(=C....
17	1IIM	-	TTP	C10 H17 N2 O14 P3	CC1=CN(C(=....
18	1IIN	-	UPG	C15 H24 N2 O17 P2	C1=CN(C(=O....
19	1MP3	-	TTP	C10 H17 N2 O14 P3	CC1=CN(C(=....
20	1MP4	-	UPG	C15 H24 N2 O17 P2	C1=CN(C(=O....
21	3PKQ	-	DGT	C10 H16 N5 O13 P3	c1nc2c(n1[....
22	6B5E	-	TYD	C10 H16 N2 O11 P2	CC1=CN(C(=....
23	6B5K	-	TYD	C10 H16 N2 O11 P2	CC1=CN(C(=....
24	1LVW	-	TYD	C10 H16 N2 O11 P2	CC1=CN(C(=....

Polypharmacology

Similar Ligands (2D)

Ligand no: 1; Ligand: G1P; Similar ligands found: 44

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	GL1	1	1
2	XGP	1	1
3	M1P	1	1
4	G1P	1	1
5	R1P	0.852941	0.904762
6	JV4	0.675	0.904762
7	GFP	0.533333	0.909091
8	GP1	0.533333	0.833333
9	RI2	0.533333	0.837209
10	MBG	0.512195	0.674419
11	AMG	0.512195	0.674419
12	GYP	0.512195	0.674419
13	MMA	0.512195	0.674419
14	G16	0.5	0.928571
15	NG1	0.480769	0.754717
16	GN1	0.480769	0.754717
17	BGC XGP	0.472727	0.863636
18	MAN IPD MAN	0.471698	0.863636
19	IPD MAN	0.462963	0.904762
20	GLC G6P	0.461538	0.863636
21	BQZ	0.456522	0.707317
22	YO5	0.454545	0.883721
23	GPM	0.454545	0.883721
24	2M8	0.44	0.714286
25	BNX	0.434783	1
26	ALX	0.434783	1
27	GMB	0.433962	0.928571
28	56N	0.431373	0.697674
29	RGG	0.428571	0.690476
30	GAT	0.423077	0.6
31	MK0	0.42029	0.75
32	DEG	0.42	0.617021
33	GAL PHB	0.418182	0.681818
34	GLC U8V	0.418182	0.652174
35	MMA MAN	0.415094	0.666667
36	GPM GLC	0.413793	0.844444
37	MBG GLA	0.411765	0.666667
38	BGC GLA GAL	0.411765	0.697674
39	BGC GLC GLC GLC GLC GLC	0.407407	0.697674
40	BGC GLC GLC GLC GLC	0.407407	0.697674
41	J5B	0.403846	0.630435
42	GAL GLA	0.403846	0.697674
43	EBQ	0.403846	0.630435
44	FUC GAL	0.4	0.697674

Ligand no: 2; Ligand: THM; Similar ligands found: 73

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	LLT	1	1
2	THM	1	1
3	0DN	0.777778	0.923077
4	TXS	0.704918	0.869565
5	TMP	0.693548	0.859155
6	T3S	0.68254	0.869565
7	TYD	0.641791	0.873239
8	ID2	0.637931	0.910448
9	T3P	0.629032	0.84507
10	TBD	0.623188	0.837838
11	AZZ	0.609375	0.857143
12	TTP	0.605634	0.873239
13	BVD	0.587302	0.953846
14	TTP MG	0.575342	0.871429
15	BTD	0.550725	0.873239
16	3DT	0.540984	0.953846
17	NYM	0.536232	0.835616
18	FDM	0.536232	0.8
19	THP	0.528571	0.84507
20	WMJ	0.525	0.78481
21	DAU	0.52381	0.863014
22	TLO	0.518519	0.849315
23	ATM	0.513514	0.779221
24	9RC	0.512195	0.743902
25	DUR	0.508197	0.952381
26	0TT	0.506494	0.926471
27	3YN	0.5	0.837838
28	1JB	0.494118	0.837838
29	18T	0.494118	0.837838
30	3R2	0.494118	0.826667
31	TRH	0.494118	0.837838
32	TDX	0.494118	0.849315
33	MCY	0.492308	0.925373
34	74W	0.488636	0.775
35	74X	0.488636	0.775
36	ATY	0.487179	0.824324
37	T3F	0.482759	0.815789
38	T3Q	0.482759	0.815789
39	DWN	0.482759	0.815789
40	5HU	0.478873	0.873239
41	T46	0.477273	0.837838
42	0N2	0.477273	0.805195
43	AZD	0.475	0.792208
44	MMF	0.47191	0.815789
45	0FX	0.47191	0.815789
46	UFP	0.464789	0.786667
47	2DT	0.463768	0.833333
48	QDM	0.461538	0.805195
49	BRU	0.458333	0.786667
50	JHZ	0.456522	0.794872
51	AKM	0.456522	0.775
52	FNF	0.456522	0.826667
53	1YF	0.456522	0.826667
54	5IU	0.452055	0.786667
55	3DR DT DT DT DT DT	0.451613	0.835616
56	4TG	0.451613	0.826667
57	BVP	0.435897	0.821918
58	T5A	0.431373	0.756098
59	TMC	0.426471	0.882353
60	ABT	0.425287	0.772152
61	DCZ	0.424242	0.880597
62	LDC	0.424242	0.880597
63	FUH	0.42	0.815789
64	QUH	0.42	0.815789
65	4TA	0.419048	0.743902
66	D3T	0.417722	0.847222
67	DT ME6 DT	0.415842	0.802632
68	5MD	0.411765	0.953125
69	DPB	0.407407	0.783784
70	TPE	0.406593	0.802632
71	5BT	0.405797	0.84507
72	B86	0.405797	0.84507
73	ADS THS THS THS	0.40367	0.738095

Similar Ligands (3D)

Ligand no: 1; Ligand: G1P; Similar ligands found: 594

No:	Ligand	Similarity coefficient
1	GRX	0.9620
2	NBG	0.9589
3	CR1	0.9511
4	JVA	0.9499
5	GC3	0.9429
6	9GP	0.9407
7	IPT	0.9349
8	6HP	0.9330
9	JVS	0.9240
10	GL6	0.9224
11	I4D	0.9220
12	QMS	0.9220
13	IPD	0.9206
14	4KL	0.9199
15	MIG	0.9193
16	X1P	0.9192
17	5OF	0.9184
18	CGW	0.9183
19	BG6	0.9181
20	G6P	0.9181
21	GI3	0.9165
22	TQU	0.9158
23	S3P	0.9152
24	NGO	0.9150
25	M3Q	0.9145
26	OX2	0.9143
27	LIP	0.9141
28	CSN	0.9140
29	LZ2	0.9138
30	JTH	0.9127
31	5WN	0.9125
32	CG8	0.9123
33	NQH	0.9121
34	NBV	0.9120
35	57O	0.9116
36	MUX	0.9113
37	0FK	0.9109
38	ALN	0.9106
39	3RI	0.9100
40	X0T	0.9098
41	209	0.9098
42	9KH	0.9097
43	PVQ	0.9096
44	30G	0.9092
45	STT	0.9091
46	OUB	0.9091
47	PVK	0.9091
48	6DP	0.9090
49	CPW	0.9089
50	NAG	0.9085
51	SG2	0.9084
52	M6P	0.9073
53	M6D	0.9071
54	94E	0.9065
55	PLP	0.9064
56	CKA	0.9061
57	A1Y	0.9060
58	5NS	0.9057
59	NLA	0.9057
60	8HC	0.9054
61	SYE	0.9051
62	IBM	0.9048
63	NGT	0.9046
64	H33	0.9046
65	IOS	0.9042
66	F5C	0.9039
67	MYI	0.9038
68	K3Q	0.9037
69	5FN	0.9035
70	NPA	0.9035
71	NB1	0.9033
72	F52	0.9030
73	JP2	0.9030
74	67Y	0.9028
75	SBK	0.9027
76	790	0.9022
77	GC2	0.9021
78	NWD	0.9020
79	B41	0.9014
80	K32	0.9012
81	4R1	0.9010
82	GOX	0.9010
83	8XQ	0.9009
84	4XV	0.9006
85	0F9	0.9005
86	8U3	0.9001
87	KYA	0.8998
88	LOG	0.8997
89	VYM	0.8994
90	96U	0.8993
91	PXP	0.8992
92	LI6	0.8987
93	X04	0.8987
94	QIF	0.8987
95	HA6	0.8984
96	2UD	0.8984
97	772	0.8984
98	ZON	0.8984
99	LP8	0.8982
100	UFO	0.8982
101	KFN	0.8980
102	UFV	0.8979
103	2O6	0.8979
104	GLP	0.8977
105	JR2	0.8974
106	TXW	0.8970
107	XFE	0.8962
108	E7R	0.8960
109	T6Z	0.8959
110	GLG	0.8956
111	AC2	0.8956
112	MHK	0.8955
113	DTR	0.8954
114	BB4	0.8954
115	5WU	0.8953
116	GI1	0.8953
117	SRO	0.8953
118	ONR	0.8953
119	TNX	0.8952
120	8W9	0.8952
121	V1T	0.8952
122	7ZC	0.8949
123	9KT	0.8948
124	EYM	0.8947
125	OKM	0.8943
126	EYA	0.8942
127	NGW	0.8939
128	657	0.8935
129	BDP	0.8935
130	FXH	0.8935
131	DNC	0.8931
132	IOP	0.8931
133	2JK	0.8928
134	SYR	0.8927
135	1VQ	0.8925
136	N7I	0.8925
137	GF4	0.8925
138	B4O	0.8921
139	512	0.8921
140	GT0	0.8921
141	IQ5	0.8919
142	EXR	0.8916
143	BGP	0.8916
144	HNQ	0.8913
145	HQD	0.8913
146	96R	0.8912
147	28S	0.8911
148	YTX	0.8910
149	KED	0.8909
150	54X	0.8907
151	K25	0.8907
152	K37	0.8906
153	I59	0.8904
154	H5B	0.8904
155	SYA	0.8901
156	3AK	0.8899
157	MNP	0.8899
158	PRZ	0.8897
159	K22	0.8895
160	IAC	0.8894
161	EXL	0.8893
162	505	0.8893
163	B56	0.8891
164	CIP	0.8890
165	S3B	0.8888
166	KGK	0.8887
167	4XS	0.8887
168	96Z	0.8887
169	2SX	0.8887
170	NPL	0.8887
171	NCV	0.8885
172	4OG	0.8885
173	ZYR	0.8883
174	HSX	0.8882
175	OIA	0.8882
176	8WZ	0.8881
177	1AL	0.8880
178	CCV	0.8880
179	PMP	0.8880
180	F6P	0.8880
181	LTN	0.8879
182	5GT	0.8878
183	3LJ	0.8876
184	7I2	0.8876
185	DPZ	0.8875
186	ABF	0.8872
187	ARP	0.8870
188	67X	0.8870
189	7WR	0.8868
190	DNA	0.8866
191	ASC	0.8866
192	PXL	0.8863
193	327	0.8863
194	9BF	0.8859
195	DNF	0.8859
196	9FQ	0.8857
197	5NE	0.8857
198	KG1	0.8856
199	MFR	0.8856
200	3Y7	0.8854
201	DHY	0.8852
202	TSR	0.8850
203	3J8	0.8850
204	DTE	0.8849
205	BM3	0.8849
206	CRB	0.8847
207	M5H	0.8847
208	7MK	0.8847
209	MQG	0.8844
210	TRP	0.8843
211	W22	0.8842
212	S7G	0.8842
213	8GK	0.8840
214	L7T	0.8840
215	1X8	0.8839
216	9FE	0.8835
217	3C4	0.8835
218	2GQ	0.8834
219	EYY	0.8833
220	GL7	0.8833
221	HBO	0.8832
222	CWD	0.8831
223	JUO	0.8830
224	TA6	0.8829
225	I7A	0.8829
226	XQK	0.8829
227	VXX	0.8829
228	GL2	0.8827
229	EV2	0.8827
230	RH1	0.8825
231	5WT	0.8824
232	EXD	0.8824
233	S7B	0.8823
234	NIY	0.8823
235	NDG	0.8823
236	XEN	0.8820
237	QZ8	0.8820
238	HPT	0.8819
239	S3C	0.8819
240	VNL	0.8818
241	TNF	0.8818
242	AY4	0.8818
243	5V7	0.8818
244	B61	0.8818
245	537	0.8815
246	UXH	0.8815
247	GDL	0.8814
248	49O	0.8813
249	78P	0.8812
250	TWO	0.8810
251	BNT	0.8809
252	UAN	0.8809
253	15L	0.8809
254	61M	0.8808
255	LDR	0.8806
256	372	0.8805
257	APS	0.8804
258	CKX	0.8801
259	AMR	0.8800
260	39U	0.8799
261	F2W	0.8799
262	BQ2	0.8799
263	DEW	0.8798
264	N2M	0.8798
265	M6Z	0.8797
266	MA3	0.8797
267	S0G	0.8797
268	R6T	0.8797
269	7FF	0.8796
270	PLR	0.8796
271	EV3	0.8795
272	NHT	0.8794
273	6VD	0.8793
274	ZME	0.8791
275	CIT	0.8790
276	GCB	0.8789
277	DK1	0.8789
278	FWD	0.8789
279	2CZ	0.8789
280	N8Y	0.8788
281	KLK	0.8788
282	EVA	0.8787
283	9UL	0.8786
284	692	0.8786
285	AH9	0.8786
286	EMZ	0.8786
287	5RO	0.8785
288	MPP	0.8784
289	DC5	0.8784
290	JAK	0.8783
291	774	0.8783
292	L21	0.8782
293	GL5	0.8781
294	4VS	0.8781
295	C2Y	0.8781
296	PEY	0.8779
297	0N7	0.8779
298	1FF	0.8779
299	R9G	0.8778
300	KIF	0.8777
301	9AP	0.8777
302	GCU	0.8777
303	KTW	0.8775
304	1QP	0.8774
305	EUH	0.8771
306	JKZ	0.8770
307	L5E	0.8770
308	6HO	0.8770
309	IWD	0.8767
310	CLU	0.8765
311	ONZ	0.8764
312	BWD	0.8763
313	MS0	0.8762
314	Z5P	0.8761
315	GNM	0.8761
316	7MX	0.8761
317	BGC	0.8760
318	MIF	0.8759
319	GIM	0.8759
320	CHQ	0.8759
321	AM1	0.8758
322	4MU	0.8758
323	ESI	0.8758
324	5JT	0.8757
325	N1E	0.8755
326	1VK	0.8754
327	680	0.8753
328	DG2	0.8753
329	2LT	0.8752
330	9F8	0.8751
331	1QV	0.8750
332	3EB	0.8749
333	GNR	0.8747
334	MQB	0.8746
335	BK9	0.8744
336	HBI	0.8743
337	6J9	0.8742
338	PW1	0.8742
339	GO8	0.8741
340	FLV	0.8741
341	EYV	0.8740
342	SKF	0.8740
343	4NS	0.8740
344	CTE	0.8738
345	TRF	0.8737
346	NOK	0.8737
347	1X7	0.8736
348	PH2	0.8734
349	NVU	0.8731
350	BY5	0.8731
351	K68	0.8728
352	CFA	0.8728
353	RP5	0.8727
354	AX3	0.8726
355	I2E	0.8726
356	B23	0.8725
357	MXD	0.8725
358	HHS	0.8724
359	REL	0.8723
360	GTV	0.8723
361	OSB	0.8722
362	JF2	0.8722
363	8S0	0.8720
364	GLC	0.8719
365	EGR	0.8719
366	H7S	0.8718
367	9ZE	0.8718
368	B21	0.8716
369	HA5	0.8716
370	M02	0.8716
371	0XT	0.8716
372	2D3	0.8715
373	H6B	0.8715
374	K2P	0.8714
375	E1K	0.8714
376	FDR	0.8714
377	M4B	0.8714
378	CP7	0.8713
379	15N	0.8713
380	8XL	0.8713
381	MAN	0.8712
382	P84	0.8712
383	GAL	0.8711
384	LAO	0.8710
385	5VJ	0.8708
386	H35	0.8708
387	H7Y	0.8708
388	8HG	0.8707
389	AIN	0.8707
390	DJN	0.8705
391	2K8	0.8705
392	1ER	0.8705
393	ALR	0.8705
394	JTA	0.8704
395	HQJ	0.8704
396	PQZ	0.8703
397	LTM	0.8702
398	N88	0.8702
399	JF1	0.8700
400	OMD	0.8698
401	R8Y	0.8697
402	F34	0.8696
403	KF5	0.8696
404	BOQ	0.8695
405	I6G	0.8695
406	DBS	0.8695
407	6ZW	0.8694
408	FER	0.8694
409	TLM	0.8693
410	5P3	0.8693
411	W8G	0.8693
412	AEH	0.8692
413	MOK	0.8692
414	F6R	0.8691
415	HWH	0.8691
416	BZJ	0.8691
417	28N	0.8688
418	GNV	0.8688
419	MZM	0.8686
420	TSS	0.8685
421	2UZ	0.8684
422	SHG	0.8683
423	0J5	0.8681
424	5VL	0.8680
425	3B4	0.8679
426	ITP	0.8679
427	F95	0.8677
428	DA4	0.8676
429	IL5	0.8676
430	PNP	0.8675
431	535	0.8675
432	289	0.8674
433	AH3	0.8673
434	2KA	0.8673
435	TEP	0.8672
436	BZM	0.8671
437	4B0	0.8671
438	NZ9	0.8671
439	MP5	0.8670
440	CP6	0.8669
441	AAN	0.8667
442	KFH	0.8667
443	BIE	0.8665
444	3VX	0.8665
445	JAA	0.8662
446	PFB	0.8662
447	FCD	0.8661
448	UQ1	0.8660
449	4I8	0.8660
450	9PY	0.8660
451	DRG	0.8659
452	XQI	0.8658
453	GLS	0.8657
454	MXX	0.8657
455	X09	0.8656
456	GSY	0.8655
457	AA	0.8655
458	PJW	0.8655
459	5RP	0.8654
460	3MG	0.8654
461	M3N	0.8654
462	DX3	0.8654
463	7ME	0.8653
464	L07	0.8653
465	BGU	0.8652
466	8G6	0.8651
467	MVL	0.8650
468	MAJ	0.8650
469	THM	0.8648
470	ZIQ	0.8647
471	3A9	0.8647
472	CFF	0.8643
473	3GC	0.8643
474	78U	0.8643
475	BPS	0.8643
476	8NX	0.8643
477	ASE	0.8642
478	3N4	0.8641
479	THA	0.8641
480	OTD	0.8640
481	HKD	0.8640
482	CTS	0.8639
483	GIV	0.8638
484	HLD	0.8636
485	TZM	0.8635
486	QQQ	0.8635
487	KJU	0.8635
488	KBG	0.8634
489	GDE	0.8634
490	89J	0.8633
491	YE7	0.8632
492	9UG	0.8632
493	BMA	0.8632
494	NTZ	0.8630
495	BCK	0.8628
496	BPY	0.8628
497	L46	0.8628
498	2CL	0.8628
499	FA6	0.8627
500	HHT	0.8625
501	1F1	0.8625
502	2KU	0.8625
503	61O	0.8625
504	CEG	0.8624
505	MAG	0.8622
506	I3C	0.8619
507	4SX	0.8619
508	6R8	0.8619
509	6QF	0.8618
510	NDM	0.8615
511	SNG	0.8615
512	CUT	0.8614
513	FOT	0.8614
514	L8J	0.8613
515	LEL	0.8613
516	D1G	0.8613
517	4FH	0.8612
518	KDM	0.8611
519	ANF	0.8611
520	9H2	0.8610
521	R9Y	0.8610
522	7L4	0.8610
523	VK3	0.8607
524	URC	0.8607
525	G3F	0.8605
526	FF2	0.8605
527	MIL	0.8605
528	CLZ	0.8604
529	N2I	0.8603
530	GNL	0.8603
531	FC2	0.8603
532	DHK	0.8602
533	0JD	0.8601
534	E7S	0.8601
535	ANC	0.8599
536	AGP	0.8599
537	FUZ	0.8596
538	64C	0.8596
539	FLC	0.8595
540	5GV	0.8594
541	UEG	0.8594
542	JND	0.8593
543	TR4	0.8593
544	DI6	0.8593
545	5AD	0.8592
546	3R6	0.8591
547	LGC	0.8590
548	12T	0.8590
549	H70	0.8589
550	I7B	0.8588
551	QSH	0.8587
552	GNY	0.8586
553	GCS	0.8583
554	5DS	0.8582
555	AJD	0.8581
556	2V0	0.8579
557	92P	0.8579
558	HJB	0.8578
559	TQL	0.8576
560	AJ1	0.8576
561	MNS	0.8573
562	1FE	0.8571
563	A2G	0.8570
564	2ZQ	0.8569
565	8MO	0.8567
566	BRV	0.8565
567	X05	0.8564
568	GTR	0.8563
569	1A7	0.8562
570	KWQ	0.8560
571	DQA	0.8560
572	X0V	0.8559
573	Q5M	0.8554
574	XM5	0.8554
575	P4L	0.8553
576	4TU	0.8553
577	QM1	0.8551
578	2H5	0.8550
579	0W1	0.8547
580	2J9	0.8545
581	27B	0.8543
582	SOR	0.8542
583	J01	0.8542
584	TLG	0.8542
585	3VW	0.8541
586	5GU	0.8540
587	ZZZ	0.8531
588	DHC	0.8526
589	M78	0.8525
590	HTP	0.8524
591	MT5	0.8522
592	5PX	0.8519
593	ZEA	0.8512
594	SKM	0.8509

Ligand no: 2; Ligand: THM; Similar ligands found: 804

No:	Ligand	Similarity coefficient
1	SCT	0.9841
2	F01	0.9801
3	THU	0.9781
4	5UD	0.9722
5	MDR	0.9713
6	3D1	0.9711
7	AHU	0.9703
8	CTN	0.9628
9	URD	0.9591
10	DDU	0.9565
11	URI	0.9562
12	CL9	0.9557
13	ADN	0.9541
14	RAB	0.9531
15	TBN	0.9531
16	5AE	0.9530
17	AR3	0.9519
18	GNG	0.9518
19	2FD	0.9516
20	NOS	0.9508
21	5N5	0.9506
22	A	0.9502
23	1DA	0.9500
24	FMC	0.9490
25	CTD	0.9488
26	5FD	0.9484
27	9DI	0.9483
28	FMB	0.9469
29	2TU	0.9464
30	PUR	0.9463
31	PRH	0.9463
32	HPR	0.9463
33	UA2	0.9460
34	IMH	0.9456
35	3BH	0.9440
36	2FA	0.9419
37	TYU	0.9417
38	I5A	0.9412
39	GMP	0.9408
40	GEO	0.9405
41	5AD	0.9401
42	UUA	0.9382
43	DHZ	0.9380
44	DNB	0.9379
45	5NB	0.9368
46	ZEB	0.9364
47	IMG	0.9358
48	AD3	0.9355
49	ZYV	0.9355
50	W29	0.9352
51	3RP	0.9345
52	RBV	0.9345
53	TAL	0.9336
54	7D7	0.9335
55	RFZ	0.9324
56	8HG	0.9319
57	CDY	0.9315
58	A4D	0.9314
59	5CD	0.9311
60	DCF	0.9300
61	3AD	0.9298
62	NWW	0.9292
63	FWD	0.9290
64	RPP	0.9281
65	6MD	0.9280
66	H7S	0.9269
67	5ID	0.9264
68	FTU	0.9262
69	MTI	0.9262
70	4MP	0.9259
71	MTM	0.9252
72	EKH	0.9250
73	CFE	0.9249
74	ANU	0.9249
75	PIR	0.9242
76	5JT	0.9236
77	BRD	0.9230
78	3L1	0.9228
79	TIZ	0.9227
80	ZYW	0.9227
81	YOF	0.9217
82	DAH	0.9216
83	1ZC	0.9214
84	9UL	0.9212
85	DBM	0.9211
86	FM1	0.9210
87	MTH	0.9209
88	MTA	0.9209
89	MTP	0.9208
90	IYR	0.9208
91	NNR	0.9208
92	28B	0.9204
93	II4	0.9202
94	CWD	0.9201
95	FM2	0.9199
96	CNI	0.9197
97	8OX	0.9197
98	XYA	0.9195
99	TIA	0.9193
100	M02	0.9185
101	JFS	0.9180
102	JWS	0.9179
103	JA3	0.9179
104	TRP	0.9179
105	DTR	0.9170
106	JY4	0.9163
107	EXR	0.9162
108	LTN	0.9159
109	L5D	0.9158
110	Q4G	0.9153
111	IQQ	0.9153
112	CTE	0.9153
113	4UO	0.9139
114	K80	0.9139
115	BWD	0.9136
116	5V7	0.9134
117	KYN	0.9134
118	CC5	0.9134
119	P2L	0.9132
120	B2T	0.9132
121	LTT	0.9131
122	LL1	0.9129
123	X11	0.9127
124	8DA	0.9125
125	DNQ	0.9119
126	JGB	0.9119
127	NAL	0.9115
128	HVE	0.9111
129	3IL	0.9108
130	MMS	0.9101
131	2QU	0.9101
132	IWD	0.9100
133	S8D	0.9097
134	EZN	0.9092
135	69K	0.9090
136	D1Y	0.9089
137	TR7	0.9085
138	AMR	0.9083
139	5I5	0.9082
140	NIY	0.9079
141	WDW	0.9075
142	PQT	0.9071
143	MG7	0.9070
144	C0W	0.9069
145	TCC	0.9066
146	ZIQ	0.9063
147	3D8	0.9060
148	ITW	0.9058
149	2UD	0.9057
150	QMR	0.9057
151	MIL	0.9054
152	DBS	0.9053
153	9B3	0.9051
154	M5H	0.9050
155	4I5	0.9050
156	WOE	0.9049
157	A7K	0.9046
158	YF3	0.9044
159	0GA	0.9042
160	MXD	0.9041
161	SY4	0.9040
162	6J9	0.9040
163	C0H	0.9039
164	ENG	0.9034
165	MCF	0.9029
166	5F8	0.9028
167	DXK	0.9027
168	4OG	0.9024
169	NEU	0.9021
170	2P3	0.9021
171	MUK	0.9020
172	7AP	0.9018
173	MBY	0.9016
174	M01	0.9016
175	X2M	0.9016
176	PF1	0.9014
177	5E5	0.9013
178	4AB	0.9012
179	FPL	0.9012
180	HWD	0.9011
181	BIO	0.9007
182	B41	0.9007
183	4Z9	0.9005
184	ETV	0.9004
185	AUV	0.9002
186	GL6	0.8998
187	4GU	0.8998
188	RVE	0.8997
189	3SU	0.8996
190	1KN	0.8995
191	GA2	0.8993
192	WCU	0.8993
193	BP7	0.8992
194	OX2	0.8992
195	5FL	0.8989
196	WVV	0.8989
197	CMU	0.8988
198	EXL	0.8988
199	JMQ	0.8986
200	4G2	0.8986
201	MJ5	0.8985
202	C4E	0.8985
203	5TZ	0.8983
204	ZME	0.8982
205	26A	0.8981
206	1SF	0.8981
207	6DQ	0.8980
208	833	0.8979
209	HNK	0.8979
210	X48	0.8979
211	XTS	0.8977
212	6FB	0.8977
213	96Z	0.8976
214	1XS	0.8974
215	OCZ	0.8974
216	NE2	0.8972
217	1QP	0.8971
218	78U	0.8969
219	A4G	0.8968
220	AOJ	0.8967
221	M83	0.8966
222	KCH	0.8966
223	22L	0.8965
224	89J	0.8964
225	7MX	0.8963
226	S0G	0.8961
227	2KU	0.8961
228	MPU	0.8959
229	OA1	0.8959
230	IOP	0.8958
231	F2W	0.8956
232	ZSP	0.8953
233	XFE	0.8953
234	ACE TRP	0.8953
235	092	0.8951
236	1A7	0.8950
237	CH8	0.8949
238	EXX	0.8947
239	N1E	0.8947
240	SOV	0.8946
241	TI7	0.8946
242	KP2	0.8946
243	M3E	0.8945
244	TCL	0.8944
245	FC2	0.8943
246	B5A	0.8942
247	EAJ	0.8942
248	UKV	0.8940
249	6HP	0.8939
250	8UY	0.8939
251	DTE	0.8937
252	ZMG	0.8935
253	7CI	0.8934
254	0DF	0.8934
255	AVA	0.8933
256	2GQ	0.8933
257	CK2	0.8932
258	JP2	0.8931
259	JVQ	0.8930
260	PRL	0.8929
261	2QV	0.8928
262	YE6	0.8927
263	HRM	0.8926
264	ALN	0.8926
265	2GD	0.8926
266	EN1	0.8924
267	6ZW	0.8924
268	PIQ	0.8924
269	TO1	0.8923
270	BZE	0.8922
271	HO4	0.8922
272	CCV	0.8922
273	BZM	0.8920
274	Q2S	0.8918
275	XIF XYP	0.8917
276	XYP XIF	0.8917
277	848	0.8917
278	H4E	0.8915
279	61M	0.8911
280	BBY	0.8907
281	Q0K	0.8906
282	H70	0.8906
283	E0O	0.8904
284	5E4	0.8902
285	27M	0.8902
286	BQ2	0.8902
287	EAT	0.8900
288	6HO	0.8898
289	AVX	0.8897
290	N8M	0.8897
291	5F5	0.8893
292	9W5	0.8892
293	N2Y	0.8891
294	BGU	0.8891
295	FQX	0.8890
296	DTY	0.8889
297	TYR	0.8889
298	CLZ	0.8888
299	TJM	0.8887
300	MPK	0.8886
301	AZY	0.8885
302	1HP	0.8885
303	H4B	0.8884
304	HBI	0.8881
305	H2B	0.8881
306	S1D	0.8880
307	M2T	0.8876
308	VBC	0.8875
309	NVU	0.8874
310	JSX	0.8874
311	IOS	0.8873
312	X6P	0.8872
313	RQD	0.8870
314	2JX	0.8869
315	B4O	0.8869
316	4WF	0.8868
317	QMS	0.8868
318	F40	0.8866
319	LJ3	0.8863
320	88R	0.8862
321	FTV	0.8861
322	6MW	0.8861
323	A4N	0.8860
324	HDU	0.8860
325	BHS	0.8860
326	30G	0.8859
327	P4L	0.8859
328	1FL	0.8859
329	3TC	0.8858
330	0A1	0.8857
331	6QT	0.8856
332	EQA	0.8855
333	1Z6	0.8855
334	LJ4	0.8851
335	8U3	0.8850
336	51Y	0.8850
337	EYY	0.8847
338	G14	0.8847
339	2J5	0.8846
340	5GV	0.8846
341	2O6	0.8845
342	6DP	0.8843
343	363	0.8838
344	Y4L	0.8837
345	SBI	0.8835
346	PE2	0.8835
347	F16	0.8832
348	8OE	0.8829
349	7L4	0.8828
350	0FR	0.8827
351	JF8	0.8827
352	M78	0.8827
353	68A	0.8826
354	PCQ	0.8826
355	M3Q	0.8826
356	GNW	0.8824
357	C53	0.8824
358	DBQ	0.8823
359	G30	0.8823
360	FHC	0.8823
361	FB4	0.8821
362	4I8	0.8821
363	92O	0.8820
364	MR6	0.8819
365	8OB	0.8815
366	3IB	0.8813
367	1ER	0.8812
368	64C	0.8812
369	JYE	0.8812
370	3J8	0.8811
371	AP6	0.8810
372	EYJ	0.8809
373	W8G	0.8807
374	9FG	0.8806
375	BDJ	0.8806
376	LIP	0.8806
377	DE3	0.8805
378	FCD	0.8805
379	WV7	0.8804
380	4AU	0.8804
381	EGR	0.8803
382	2UZ	0.8802
383	NWD	0.8802
384	9BF	0.8802
385	DEW	0.8801
386	8XL	0.8799
387	IA2	0.8799
388	Q5M	0.8798
389	0XT	0.8798
390	2B4	0.8797
391	HHS	0.8797
392	38B	0.8796
393	92G	0.8795
394	AP4	0.8794
395	HNL	0.8793
396	G6P	0.8793
397	KMY	0.8793
398	7QV	0.8791
399	ANC	0.8791
400	EWG	0.8791
401	ID8	0.8789
402	FDR	0.8788
403	PH2	0.8787
404	ARP	0.8787
405	B21	0.8786
406	790	0.8784
407	CH9	0.8784
408	MP5	0.8783
409	9FH	0.8782
410	4NR	0.8780
411	RVD	0.8780
412	GRX	0.8780
413	TLG	0.8779
414	TCR	0.8778
415	8P3	0.8776
416	GAT	0.8774
417	0SY	0.8773
418	WS7	0.8773
419	BB4	0.8772
420	TB8	0.8772
421	BPY	0.8770
422	43F	0.8770
423	KTJ	0.8768
424	78Y	0.8768
425	103	0.8768
426	SGV	0.8768
427	VUP	0.8768
428	AWE	0.8767
429	8MO	0.8767
430	ACK	0.8767
431	TQU	0.8767
432	JXT	0.8765
433	TLM	0.8764
434	ZON	0.8761
435	XYP AHR	0.8761
436	6BL	0.8760
437	ZYR	0.8760
438	4R1	0.8760
439	N0Z	0.8759
440	LUM	0.8758
441	XYP XYP	0.8758
442	0XR	0.8758
443	QBT	0.8758
444	XYP XDN	0.8758
445	IDZ	0.8757
446	BZJ	0.8757
447	XDK	0.8756
448	WSD	0.8756
449	XDN XYP	0.8756
450	BG6	0.8755
451	16Z	0.8755
452	FMQ	0.8755
453	3VW	0.8754
454	4FF	0.8754
455	BZQ	0.8754
456	CX6	0.8753
457	1WC	0.8753
458	9JT	0.8753
459	VM1	0.8753
460	0F9	0.8753
461	6QF	0.8752
462	U4J	0.8751
463	2C2	0.8751
464	S0E	0.8751
465	2J1	0.8751
466	0OL	0.8750
467	50C	0.8750
468	ZJB	0.8749
469	7VF	0.8748
470	57O	0.8748
471	C2Y	0.8748
472	DX3	0.8746
473	17C	0.8746
474	344	0.8745
475	ALE	0.8745
476	5P7	0.8744
477	TIY	0.8744
478	4EU	0.8744
479	NPA	0.8743
480	SV4	0.8743
481	78P	0.8742
482	Z21	0.8742
483	NCV	0.8741
484	SYE	0.8740
485	CJZ	0.8740
486	XI7	0.8739
487	TMG	0.8738
488	657	0.8738
489	ROI	0.8737
490	GZ2	0.8736
491	XEN	0.8736
492	CEG	0.8734
493	LZ2	0.8734
494	YE7	0.8734
495	HA5	0.8734
496	PBQ	0.8733
497	Q92	0.8732
498	4KL	0.8731
499	A4Q	0.8730
500	I2E	0.8730
501	3Y7	0.8730
502	ASE	0.8729
503	ENO	0.8728
504	HWH	0.8728
505	TYE	0.8728
506	BP3	0.8727
507	CB1	0.8727
508	CSN	0.8727
509	DPT	0.8726
510	BY5	0.8726
511	A5H	0.8725
512	ISA	0.8725
513	CUT	0.8723
514	ZEA	0.8723
515	TSR	0.8722
516	5P3	0.8721
517	CFA	0.8721
518	5WN	0.8721
519	NE1	0.8720
520	5NS	0.8718
521	FHI	0.8717
522	2UB	0.8717
523	EXG	0.8713
524	5O5	0.8712
525	15N	0.8712
526	0OK	0.8711
527	DNA	0.8711
528	H5B	0.8710
529	JRO	0.8710
530	MAJ	0.8710
531	JRB	0.8709
532	I4D	0.8709
533	6J3	0.8709
534	B23	0.8709
535	HA6	0.8708
536	3WJ	0.8706
537	SKF	0.8704
538	92P	0.8704
539	TVC	0.8704
540	F63	0.8703
541	7QY	0.8702
542	JF1	0.8701
543	EVF	0.8701
544	PYU	0.8701
545	JZA	0.8700
546	K48	0.8700
547	CUH	0.8700
548	0OP	0.8700
549	0FK	0.8699
550	6HX	0.8698
551	0JD	0.8697
552	Q9T	0.8697
553	L22	0.8697
554	XCG	0.8697
555	HNH	0.8696
556	FF2	0.8695
557	2K8	0.8695
558	LR2	0.8694
559	38E	0.8694
560	WS6	0.8693
561	MUR	0.8692
562	ONR	0.8692
563	A1Y	0.8691
564	U2Z	0.8691
565	DRG	0.8691
566	C9E	0.8690
567	28N	0.8690
568	BZC	0.8690
569	537	0.8689
570	QQX	0.8689
571	FT1	0.8688
572	I59	0.8687
573	9PL	0.8686
574	RSV	0.8686
575	M5E	0.8686
576	B2Y	0.8685
577	AJD	0.8685
578	PEY	0.8684
579	6KT	0.8684
580	IAC	0.8683
581	DT7	0.8683
582	JG8	0.8683
583	6X9	0.8683
584	S7G	0.8682
585	JVN	0.8682
586	DHY	0.8681
587	GO2	0.8681
588	PMP	0.8681
589	8HC	0.8680
590	2LY	0.8680
591	JF2	0.8679
592	11X	0.8679
593	2LW	0.8679
594	EXD	0.8679
595	YO5	0.8678
596	IPD	0.8678
597	9FL	0.8678
598	EYV	0.8677
599	NAG	0.8676
600	BQ5	0.8676
601	ABF	0.8676
602	FBC	0.8675
603	EYA	0.8675
604	V1T	0.8674
605	GEN	0.8674
606	WA2	0.8673
607	DIF	0.8673
608	1V1	0.8673
609	IMQ	0.8673
610	MOK	0.8673
611	N91	0.8672
612	1VK	0.8672
613	B56	0.8670
614	6JO	0.8670
615	9MR	0.8669
616	THA	0.8668
617	1KP	0.8666
618	A73	0.8665
619	JMS	0.8665
620	S60	0.8664
621	YIH	0.8663
622	4FP	0.8661
623	7R7	0.8661
624	EV2	0.8660
625	4V2	0.8660
626	9AA	0.8660
627	L5E	0.8660
628	DIH	0.8660
629	IQW	0.8660
630	3W1	0.8659
631	MQG	0.8657
632	49O	0.8657
633	ZRK	0.8656
634	CHQ	0.8656
635	4RU	0.8656
636	WL3	0.8654
637	K7H	0.8653
638	0UL	0.8653
639	X8D	0.8652
640	GI1	0.8650
641	2D2	0.8650
642	G1P	0.8648
643	G12	0.8648
644	3B4	0.8646
645	EY7	0.8646
646	54E	0.8646
647	581	0.8646
648	SG2	0.8645
649	9RM	0.8644
650	E1T	0.8644
651	U	0.8643
652	PJW	0.8642
653	SGP	0.8641
654	ODK	0.8641
655	GOE	0.8640
656	9F8	0.8640
657	36E	0.8639
658	WUB	0.8638
659	P9E	0.8637
660	NPL	0.8637
661	26C	0.8636
662	EYM	0.8636
663	XRX	0.8635
664	8VR	0.8635
665	0J4	0.8635
666	AC2	0.8635
667	64E	0.8635
668	KYA	0.8635
669	ZZA	0.8634
670	54Z	0.8634
671	39O	0.8633
672	42R	0.8632
673	AY4	0.8632
674	3VX	0.8630
675	HHR	0.8629
676	GVY	0.8629
677	QQY	0.8628
678	PLR	0.8628
679	4TU	0.8628
680	M6P	0.8627
681	ZEC	0.8625
682	QUS	0.8624
683	IFM BGC	0.8624
684	JR2	0.8624
685	EFX	0.8623
686	5TY	0.8622
687	GNV	0.8621
688	DNC	0.8621
689	5VL	0.8621
690	TT4	0.8621
691	N2M	0.8620
692	EUE	0.8620
693	RNK	0.8618
694	RVB	0.8618
695	BP6	0.8618
696	DNF	0.8617
697	LVY	0.8617
698	CKA	0.8617
699	XRS	0.8617
700	NLA	0.8614
701	PH3	0.8613
702	9FE	0.8613
703	NI9	0.8613
704	Q77	0.8613
705	JYK	0.8612
706	BA5	0.8611
707	LDR	0.8610
708	CXH	0.8609
709	X0U	0.8609
710	JTA	0.8606
711	E3X	0.8606
712	CU8	0.8606
713	HBO	0.8606
714	SLS	0.8605
715	I6G	0.8605
716	9ZE	0.8601
717	1DR	0.8598
718	TR4	0.8598
719	R6T	0.8597
720	X04	0.8597
721	N9J	0.8597
722	B1J	0.8595
723	S3C	0.8595
724	TYP	0.8595
725	M6D	0.8595
726	MNP	0.8594
727	APS	0.8592
728	4AN	0.8592
729	L13	0.8592
730	GLP	0.8590
731	ANF	0.8589
732	2FQ	0.8589
733	HNT	0.8589
734	GNR	0.8589
735	977	0.8588
736	97T	0.8587
737	724	0.8587
738	1QV	0.8586
739	DHC	0.8585
740	8G6	0.8585
741	ISC	0.8584
742	AA	0.8583
743	3QV	0.8582
744	774	0.8582
745	AUT	0.8582
746	A6H	0.8581
747	5GT	0.8581
748	HMD	0.8580
749	BGP	0.8580
750	M6Z	0.8577
751	UL1	0.8575
752	GJK	0.8574
753	F1X	0.8574
754	JYT	0.8574
755	1A5	0.8574
756	PLP	0.8573
757	MZM	0.8571
758	F5C	0.8571
759	5NI	0.8571
760	9AP	0.8570
761	7Q1	0.8570
762	U13	0.8570
763	VXX	0.8570
764	RIS	0.8568
765	IM5	0.8567
766	BIE	0.8567
767	ML1	0.8566
768	LAH	0.8564
769	Z17	0.8564
770	683	0.8564
771	57D	0.8563
772	A4T	0.8562
773	GJP	0.8562
774	R20	0.8561
775	LFN	0.8561
776	OQC	0.8560
777	3AK	0.8557
778	ET0	0.8554
779	OJD	0.8554
780	H35	0.8553
781	UAY	0.8553
782	6C8	0.8552
783	AN3	0.8552
784	96U	0.8551
785	PXP	0.8551
786	AH6	0.8551
787	DCM	0.8551
788	0J2	0.8549
789	AZM	0.8548
790	HNM	0.8547
791	47V	0.8546
792	LFQ	0.8545
793	XYS XYS	0.8544
794	A6P	0.8540
795	UFO	0.8539
796	7M2	0.8538
797	67Y	0.8535
798	DBE	0.8530
799	AJY	0.8527
800	BPU	0.8527
801	DT9	0.8525
802	AUG	0.8519
803	JO5	0.8516
804	6TZ	0.8506

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

Pocket No.: 1; Query (leader) PDB : 4ASJ; Ligand: N6A; 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: 4asj.bio1) has 94 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 2; Query (leader) PDB : 4ASJ; Ligand: N6A; 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: 4asj.bio1) has 94 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 3; Query (leader) PDB : 4ASJ; Ligand: N6A; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.

This union binding pocket(no: 3) in the query (biounit: 4asj.bio3) has 133 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 4; Query (leader) PDB : 4ASJ; Ligand: N6A; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.

This union binding pocket(no: 4) in the query (biounit: 4asj.bio3) has 133 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 5; Query (leader) PDB : 4ASJ; Ligand: N6A; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.

This union binding pocket(no: 5) in the query (biounit: 4asj.bio2) has 132 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 6; Query (leader) PDB : 4ASJ; Ligand: N6A; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.

This union binding pocket(no: 6) in the query (biounit: 4asj.bio2) has 132 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 7; Query (leader) PDB : 4ASJ; Ligand: N6A; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.

This union binding pocket(no: 7) in the query (biounit: 4asj.bio4) has 94 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 8; Query (leader) PDB : 4ASJ; Ligand: N6A; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.

This union binding pocket(no: 8) in the query (biounit: 4asj.bio4) has 94 residues
No:	Leader PDB	Ligand	Sequence Similarity

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