Binding MOAD - The Mother of All Databases

Navigate: Expand All | Collapse All; Receptor | Ligand | View in 3D; Family: 90% | 70% | 50% | site
External Links: |
Download: Structure Biounit | Ligand Information; PDB : .ZIP | .CSV; Family 90% : .ZIP | .CSV; Class : .ZIP | .CSV

Receptor

PDB id	Resolution	Class	Description	Source	Keywords
2fc1	2 Å	EC: 1.14.13.165	HEME NO COMPLEX IN NOS	BACILLUS SUBTILIS	HEME-NO COMPLEX NITRIC OXIDE SYNTHASE OXIDOREDUCTASE
Ref.:	NITROSYL-HEME STRUCTURES OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE HAVE IMPLICATIONS FOR UNDERSTANDING SUBSTRATE OXIDATION. BIOCHEMISTRY V. 45 2537 2006

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	Molecular Weight (Da)	Formula	SMILES
ARG	A:2000;	Valid;	none;	submit data	175.209	C6 H15 N4 O2	C(C[C...
HBI	A:903;	Valid;	none;	submit data	239.231	C9 H13 N5 O3	C[C@@...
HEM	A:901;	Part of Protein;	none;	submit data	616.487	C34 H32 Fe N4 O4	Cc1c2...
NO	A:902;	Invalid;	none;	submit data	30.006	N O	[N]=O

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
4LWA	2.06 Å	EC: 1.14.13.165	STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMP ((2S, 3S)-1,3-BIS((6-(2,5-DIMETHYL-1H-PYRROL-1-YL)-4-METHYLY L)METHOXY)-2-AMINOBUTANE	BACILLUS SUBTILIS SUBSP. SUBTILIS	NITRIC OXIDE SYNTHASE OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITCOMPLEX
Ref.:	STRUCTURAL AND BIOLOGICAL STUDIES ON BACTERIAL NITR SYNTHASE INHIBITORS. PROC.NATL.ACAD.SCI.USA V. 110 18127 2013

Members (73)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1 families.
1	5G6E	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
2	4UG9	-	1EW	C25 H33 N5	Cc1cc(nc(c....
3	4UGH	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
4	2FBZ	-	HAR	C6 H14 N4 O3	C(C[C@@H](....
5	5G6B	-	M48	C19 H20 F N3	c1cc(cc(c1....
6	4D3V	-	RFQ	C24 H21 N4 O2 S2	[H]/N=C(/c....
7	5G6N	-	8VJ	C19 H21 N3 O	CN(C)Cc1cc....
8	4UG5	-	XFK	C21 H25 N5	Cc1cc(nc(c....
9	4UGR	-	6E5	C29 H31 N5 O2 S2	[H]/N=C(/c....
10	5G6K	-	M94	C19 H21 N3 O	CNCCc1cccc....
11	4UG8	-	HW1	C22 H33 N5 O	Cc1cc(nc(c....
12	4UGG	-	S5D	C22 H27 N5	Cc1cc(nc(c....
13	4D7I	-	0GD	C21 H22 F N3	Cc1cc(nc(c....
14	5G6O	-	8VJ	C19 H21 N3 O	CN(C)Cc1cc....
15	4UGQ	-	7LN	C27 H29 N5 O2 S2	c1cc(cc(c1....
16	4UGW	-	HW1	C22 H33 N5 O	Cc1cc(nc(c....
17	5G6F	-	2SN	C19 H22 N4	CN(C)Cc1cc....
18	5G6L	-	XEB	C18 H18 Cl N3 O	CNCc1cc(cc....
19	5G69	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
20	4UGS	-	H36	C24 H22 N4 O2 S2	[H]/N=C(Nc....
21	5G6C	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
22	4UGC	-	1Q6	C17 H25 N5 O2	Cc1cc(nc(c....
23	4UGE	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
24	4D3K	-	12S	C25 H33 N5	Cc1cc(nc(c....
25	4UG7	-	1EV	C23 H25 N5	Cc1cc(nc(c....
26	4UGT	-	UGT	C16 H19 N3 O S	c1cc(cc(c1....
27	4UGF	-	Q16	C19 H27 N5 O2	Cc1cc(nc(c....
28	4LWB	Kd = 4.4 uM	QJ8	C19 H27 N5 O2	Cc1cc(nc(c....
29	4UG6	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
30	5G6D	-	JHT	C19 H22 N4	CN(C)c1ccc....
31	4D7J	-	0GD	C21 H22 F N3	Cc1cc(nc(c....
32	4UGY	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
33	5G6A	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
34	1M7V	-	THG	C19 H23 N7 O6	c1cc(ccc1C....
35	2FC2	-	HBI	C9 H13 N5 O3	C[C@@H]([C....
36	4D3J	-	XFN	C22 H27 N5	Cc1cc(nc(c....
37	5G6M	-	9M9	C17 H17 N3 O	c1cc(cc(c1....
38	4UQR	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
39	4UGL	-	S90	C20 H27 F N4	Cc1cc(nc(c....
40	4UGM	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
41	4D3O	-	S97	C24 H27 N5	Cc1cc(nc(c....
42	4UGA	-	Q05	C22 H24 F N3 O	Cc1cc(nc(c....
43	5G6J	-	M94	C19 H21 N3 O	CNCCc1cccc....
44	4UGP	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
45	4UGV	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
46	5G66	-	M5K	C10 H10 N2	Cc1cc(nc2c....
47	4D3I	-	1ET	C23 H29 N5	Cc1cc(nc(c....
48	4UGK	-	7S9	C17 H24 N4	Cc1cc(nc(c....
49	4D3N	-	SK6	C22 H23 N5	Cc1cc(nc(c....
50	4D3U	-	RFQ	C24 H21 N4 O2 S2	[H]/N=C(/c....
51	4UGN	-	H49	C17 H22 N4 S	c1cc(cc(c1....
52	5G67	-	M87	C18 H18 F N3	c1cc(cc(c1....
53	5G6Q	-	TUE	C17 H16 N4 O	C=NCc1cc(c....
54	4UGX	-	5H4	C22 H24 F N3 S	[H]/N=C(c1....
55	4D3M	-	IVU	C24 H27 N5	Cc1cc(nc(c....
56	4UGJ	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
57	2FC1	-	HBI	C9 H13 N5 O3	C[C@@H]([C....
58	5G6P	-	8VJ	C19 H21 N3 O	CN(C)Cc1cc....
59	4UGO	-	1QF	C27 H29 N5 S2	[H]/N=C(c1....
60	5G6G	-	H8B	C18 H19 N3 O	CNCc1ccccc....
61	4D7H	-	M46	C20 H22 F N3	c1cc(cc(c1....
62	4UQS	-	INE	C7 H4 Br N3 O2	c1cc2c(c(c....
63	5G68	-	ML6	C19 H20 F N3	c1cc(cc(c1....
64	1M7Z	-	THG	C19 H23 N7 O6	c1cc(ccc1C....
65	4UGB	-	QJ7	C21 H23 F N4 O	Cc1cc(nc(c....
66	4UGD	-	Q14	C18 H27 N5 O2	Cc1cc(nc(c....
67	5G6I	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
68	4D3T	-	RFQ	C24 H21 N4 O2 S2	[H]/N=C(/c....
69	5G65	-	2AQ	C9 H8 N2	c1ccc2c(c1....
70	5G6H	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
71	4UGI	-	SKO	C17 H25 N5	Cc1cc(nc(c....
72	4LWA	Kd = 1.1 uM	Q13	C18 H27 N5 O2	Cc1cc(nc(c....
73	4UGU	-	PQW	C27 H27 N5 O2 S2	[H]/N=C(/c....

70% Homology Family (73)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1 families.
1	5G6E	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
2	4UG9	-	1EW	C25 H33 N5	Cc1cc(nc(c....
3	4UGH	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
4	2FBZ	-	HAR	C6 H14 N4 O3	C(C[C@@H](....
5	5G6B	-	M48	C19 H20 F N3	c1cc(cc(c1....
6	4D3V	-	RFQ	C24 H21 N4 O2 S2	[H]/N=C(/c....
7	5G6N	-	8VJ	C19 H21 N3 O	CN(C)Cc1cc....
8	4UG5	-	XFK	C21 H25 N5	Cc1cc(nc(c....
9	4UGR	-	6E5	C29 H31 N5 O2 S2	[H]/N=C(/c....
10	5G6K	-	M94	C19 H21 N3 O	CNCCc1cccc....
11	4UG8	-	HW1	C22 H33 N5 O	Cc1cc(nc(c....
12	4UGG	-	S5D	C22 H27 N5	Cc1cc(nc(c....
13	4D7I	-	0GD	C21 H22 F N3	Cc1cc(nc(c....
14	5G6O	-	8VJ	C19 H21 N3 O	CN(C)Cc1cc....
15	4UGQ	-	7LN	C27 H29 N5 O2 S2	c1cc(cc(c1....
16	4UGW	-	HW1	C22 H33 N5 O	Cc1cc(nc(c....
17	5G6F	-	2SN	C19 H22 N4	CN(C)Cc1cc....
18	5G6L	-	XEB	C18 H18 Cl N3 O	CNCc1cc(cc....
19	5G69	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
20	4UGS	-	H36	C24 H22 N4 O2 S2	[H]/N=C(Nc....
21	5G6C	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
22	4UGC	-	1Q6	C17 H25 N5 O2	Cc1cc(nc(c....
23	4UGE	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
24	4D3K	-	12S	C25 H33 N5	Cc1cc(nc(c....
25	4UG7	-	1EV	C23 H25 N5	Cc1cc(nc(c....
26	4UGT	-	UGT	C16 H19 N3 O S	c1cc(cc(c1....
27	4UGF	-	Q16	C19 H27 N5 O2	Cc1cc(nc(c....
28	4LWB	Kd = 4.4 uM	QJ8	C19 H27 N5 O2	Cc1cc(nc(c....
29	4UG6	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
30	5G6D	-	JHT	C19 H22 N4	CN(C)c1ccc....
31	4D7J	-	0GD	C21 H22 F N3	Cc1cc(nc(c....
32	4UGY	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
33	5G6A	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
34	1M7V	-	THG	C19 H23 N7 O6	c1cc(ccc1C....
35	2FC2	-	HBI	C9 H13 N5 O3	C[C@@H]([C....
36	4D3J	-	XFN	C22 H27 N5	Cc1cc(nc(c....
37	5G6M	-	9M9	C17 H17 N3 O	c1cc(cc(c1....
38	4UQR	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
39	4UGL	-	S90	C20 H27 F N4	Cc1cc(nc(c....
40	4UGM	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
41	4D3O	-	S97	C24 H27 N5	Cc1cc(nc(c....
42	4UGA	-	Q05	C22 H24 F N3 O	Cc1cc(nc(c....
43	5G6J	-	M94	C19 H21 N3 O	CNCCc1cccc....
44	4UGP	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
45	4UGV	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
46	5G66	-	M5K	C10 H10 N2	Cc1cc(nc2c....
47	4D3I	-	1ET	C23 H29 N5	Cc1cc(nc(c....
48	4UGK	-	7S9	C17 H24 N4	Cc1cc(nc(c....
49	4D3N	-	SK6	C22 H23 N5	Cc1cc(nc(c....
50	4D3U	-	RFQ	C24 H21 N4 O2 S2	[H]/N=C(/c....
51	4UGN	-	H49	C17 H22 N4 S	c1cc(cc(c1....
52	5G67	-	M87	C18 H18 F N3	c1cc(cc(c1....
53	5G6Q	-	TUE	C17 H16 N4 O	C=NCc1cc(c....
54	4UGX	-	5H4	C22 H24 F N3 S	[H]/N=C(c1....
55	4D3M	-	IVU	C24 H27 N5	Cc1cc(nc(c....
56	4UGJ	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
57	2FC1	-	HBI	C9 H13 N5 O3	C[C@@H]([C....
58	5G6P	-	8VJ	C19 H21 N3 O	CN(C)Cc1cc....
59	4UGO	-	1QF	C27 H29 N5 S2	[H]/N=C(c1....
60	5G6G	-	H8B	C18 H19 N3 O	CNCc1ccccc....
61	4D7H	-	M46	C20 H22 F N3	c1cc(cc(c1....
62	4UQS	-	INE	C7 H4 Br N3 O2	c1cc2c(c(c....
63	5G68	-	ML6	C19 H20 F N3	c1cc(cc(c1....
64	1M7Z	-	THG	C19 H23 N7 O6	c1cc(ccc1C....
65	4UGB	-	QJ7	C21 H23 F N4 O	Cc1cc(nc(c....
66	4UGD	-	Q14	C18 H27 N5 O2	Cc1cc(nc(c....
67	5G6I	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
68	4D3T	-	RFQ	C24 H21 N4 O2 S2	[H]/N=C(/c....
69	5G65	-	2AQ	C9 H8 N2	c1ccc2c(c1....
70	5G6H	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
71	4UGI	-	SKO	C17 H25 N5	Cc1cc(nc(c....
72	4LWA	Kd = 1.1 uM	Q13	C18 H27 N5 O2	Cc1cc(nc(c....
73	4UGU	-	PQW	C27 H27 N5 O2 S2	[H]/N=C(/c....

50% Homology Family (74)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1 families.
1	5G6E	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
2	4UG9	-	1EW	C25 H33 N5	Cc1cc(nc(c....
3	4UGH	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
4	2FBZ	-	HAR	C6 H14 N4 O3	C(C[C@@H](....
5	5G6B	-	M48	C19 H20 F N3	c1cc(cc(c1....
6	4D3V	-	RFQ	C24 H21 N4 O2 S2	[H]/N=C(/c....
7	5G6N	-	8VJ	C19 H21 N3 O	CN(C)Cc1cc....
8	4UG5	-	XFK	C21 H25 N5	Cc1cc(nc(c....
9	4UGR	-	6E5	C29 H31 N5 O2 S2	[H]/N=C(/c....
10	5G6K	-	M94	C19 H21 N3 O	CNCCc1cccc....
11	4UG8	-	HW1	C22 H33 N5 O	Cc1cc(nc(c....
12	4UGG	-	S5D	C22 H27 N5	Cc1cc(nc(c....
13	4D7I	-	0GD	C21 H22 F N3	Cc1cc(nc(c....
14	5G6O	-	8VJ	C19 H21 N3 O	CN(C)Cc1cc....
15	4UGQ	-	7LN	C27 H29 N5 O2 S2	c1cc(cc(c1....
16	4UGW	-	HW1	C22 H33 N5 O	Cc1cc(nc(c....
17	5G6F	-	2SN	C19 H22 N4	CN(C)Cc1cc....
18	5G6L	-	XEB	C18 H18 Cl N3 O	CNCc1cc(cc....
19	5G69	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
20	4UGS	-	H36	C24 H22 N4 O2 S2	[H]/N=C(Nc....
21	5G6C	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
22	4UGC	-	1Q6	C17 H25 N5 O2	Cc1cc(nc(c....
23	4UGE	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
24	4D3K	-	12S	C25 H33 N5	Cc1cc(nc(c....
25	4UG7	-	1EV	C23 H25 N5	Cc1cc(nc(c....
26	4UGT	-	UGT	C16 H19 N3 O S	c1cc(cc(c1....
27	4UGF	-	Q16	C19 H27 N5 O2	Cc1cc(nc(c....
28	4LWB	Kd = 4.4 uM	QJ8	C19 H27 N5 O2	Cc1cc(nc(c....
29	4UG6	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
30	5G6D	-	JHT	C19 H22 N4	CN(C)c1ccc....
31	4D7J	-	0GD	C21 H22 F N3	Cc1cc(nc(c....
32	4UGY	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
33	5G6A	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
34	1M7V	-	THG	C19 H23 N7 O6	c1cc(ccc1C....
35	2FC2	-	HBI	C9 H13 N5 O3	C[C@@H]([C....
36	4D3J	-	XFN	C22 H27 N5	Cc1cc(nc(c....
37	5G6M	-	9M9	C17 H17 N3 O	c1cc(cc(c1....
38	4UQR	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
39	4UGL	-	S90	C20 H27 F N4	Cc1cc(nc(c....
40	4UGM	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
41	4D3O	-	S97	C24 H27 N5	Cc1cc(nc(c....
42	4UGA	-	Q05	C22 H24 F N3 O	Cc1cc(nc(c....
43	5G6J	-	M94	C19 H21 N3 O	CNCCc1cccc....
44	4UGP	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
45	4UGV	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
46	5G66	-	M5K	C10 H10 N2	Cc1cc(nc2c....
47	4D3I	-	1ET	C23 H29 N5	Cc1cc(nc(c....
48	4UGK	-	7S9	C17 H24 N4	Cc1cc(nc(c....
49	4D3N	-	SK6	C22 H23 N5	Cc1cc(nc(c....
50	4D3U	-	RFQ	C24 H21 N4 O2 S2	[H]/N=C(/c....
51	4UGN	-	H49	C17 H22 N4 S	c1cc(cc(c1....
52	5G67	-	M87	C18 H18 F N3	c1cc(cc(c1....
53	5G6Q	-	TUE	C17 H16 N4 O	C=NCc1cc(c....
54	4UGX	-	5H4	C22 H24 F N3 S	[H]/N=C(c1....
55	4D3M	-	IVU	C24 H27 N5	Cc1cc(nc(c....
56	4UGJ	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
57	2FC1	-	HBI	C9 H13 N5 O3	C[C@@H]([C....
58	5G6P	-	8VJ	C19 H21 N3 O	CN(C)Cc1cc....
59	4UGO	-	1QF	C27 H29 N5 S2	[H]/N=C(c1....
60	5G6G	-	H8B	C18 H19 N3 O	CNCc1ccccc....
61	4D7H	-	M46	C20 H22 F N3	c1cc(cc(c1....
62	4UQS	-	INE	C7 H4 Br N3 O2	c1cc2c(c(c....
63	5G68	-	ML6	C19 H20 F N3	c1cc(cc(c1....
64	1M7Z	-	THG	C19 H23 N7 O6	c1cc(ccc1C....
65	4UGB	-	QJ7	C21 H23 F N4 O	Cc1cc(nc(c....
66	4UGD	-	Q14	C18 H27 N5 O2	Cc1cc(nc(c....
67	5G6I	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
68	4D3T	-	RFQ	C24 H21 N4 O2 S2	[H]/N=C(/c....
69	5G65	-	2AQ	C9 H8 N2	c1ccc2c(c1....
70	5G6H	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
71	4UGI	-	SKO	C17 H25 N5	Cc1cc(nc(c....
72	4LWA	Kd = 1.1 uM	Q13	C18 H27 N5 O2	Cc1cc(nc(c....
73	4UGU	-	PQW	C27 H27 N5 O2 S2	[H]/N=C(/c....
74	1MJT	-	ITU	C3 H8 N2 S	CCSC(=N)N

Polypharmacology

Similar Ligands (2D)

Ligand no: 1; Ligand: ARG; Similar ligands found: 47

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	DAR	1	1
2	ARG	1	1
3	CIR	0.735294	0.763158
4	AAR	0.705882	0.783784
5	ILO	0.615385	0.783784
6	3AR	0.595238	0.891892
7	4JK	0.585366	0.789474
8	NMM	0.585366	0.888889
9	HAR	0.585366	0.780488
10	VUR	0.585366	0.810811
11	VIO	0.581395	0.769231
12	WT2	0.571429	0.805556
13	DA2	0.55814	0.744186
14	2YH	0.545455	0.65
15	3KJ	0.545455	0.680851
16	2MR	0.545455	0.864865
17	1KJ	0.533333	0.744186
18	JM2	0.533333	0.731707
19	NRG	0.521739	0.622642
20	RPI	0.521739	0.64
21	2YJ	0.521739	0.619048
22	API	0.515152	0.611111
23	LN6	0.510638	0.725
24	JM7	0.5	0.731707
25	ARG VAL	0.5	0.744186
26	HRG	0.5	0.941176
27	LYS ARG LYS ARG LYS ARG LYS ARG	0.5	0.848485
28	AS1	0.489796	0.8
29	D20	0.489796	0.744186
30	2KJ	0.489796	0.727273
31	ORN	0.472222	0.757576
32	JM4	0.470588	0.697674
33	JM6	0.470588	0.697674
34	JM8	0.470588	0.714286
35	MLZ	0.463415	0.65
36	ARG ASP	0.461538	0.744186
37	JM5	0.461538	0.714286
38	ARG GLU	0.45283	0.761905
39	DLY	0.447368	0.735294
40	DAB	0.441176	0.685714
41	LYS	0.435897	0.764706
42	0TF	0.428571	0.619048
43	2YG	0.42	0.619048
44	ALA ARG	0.42	0.780488
45	PG3	0.416667	0.756757
46	6CL	0.414634	0.638889
47	BEZ NLE LYS ARG OAR	0.413793	0.75

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

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	HBI	1	1
2	44W	0.519231	0.816667
3	PH2	0.464286	0.852459
4	ZSP	0.45	1

Similar Ligands (3D)

Ligand no: 1; Ligand: ARG; Similar ligands found: 663

No:	Ligand	Similarity coefficient
1	2M7	1.0000
2	GGB	0.9987
3	MLY	0.9957
4	NPI	0.9877
5	IAR	0.9808
6	6HN	0.9763
7	EXY	0.9757
8	DHH	0.9716
9	ABH	0.9712
10	JX7	0.9650
11	ZZU	0.9621
12	26P	0.9575
13	L06	0.9562
14	LVD	0.9550
15	NNH	0.9549
16	M3L	0.9547
17	AHL	0.9544
18	EGV	0.9522
19	HOC	0.9487
20	ENW	0.9464
21	2FM	0.9456
22	4DI	0.9455
23	ENV	0.9446
24	LPB	0.9434
25	E8U	0.9434
26	PML	0.9432
27	FB6	0.9418
28	CLT	0.9417
29	2NP	0.9415
30	11C	0.9411
31	GVA	0.9410
32	UN1	0.9406
33	NOT	0.9392
34	4ZD	0.9385
35	9YT	0.9379
36	SZ7	0.9358
37	AHN	0.9352
38	011	0.9351
39	TEG	0.9349
40	OOG	0.9343
41	4TB	0.9342
42	ONH	0.9341
43	58X	0.9339
44	OCA	0.9336
45	M3P	0.9334
46	SLZ	0.9329
47	Z70	0.9329
48	HFA	0.9326
49	2OR	0.9326
50	5AB	0.9322
51	S2C	0.9322
52	P80	0.9321
53	XRS	0.9321
54	LPA	0.9316
55	N8C	0.9313
56	ALY	0.9308
57	FK8	0.9307
58	PHE	0.9305
59	XRX	0.9303
60	MF3	0.9298
61	PBA	0.9284
62	LYN	0.9275
63	A51	0.9262
64	8AC	0.9262
65	N9J	0.9260
66	1HS	0.9259
67	NFZ	0.9256
68	9J6	0.9255
69	64Z	0.9254
70	DHC	0.9247
71	LUQ	0.9238
72	KAP	0.9233
73	GRQ	0.9231
74	DDK	0.9230
75	NFA	0.9227
76	J9Y	0.9226
77	MHN	0.9223
78	6C4	0.9221
79	AOY	0.9217
80	HIC	0.9217
81	7OD	0.9216
82	GB5	0.9212
83	M1T	0.9212
84	HCI	0.9211
85	KDG	0.9210
86	KNA	0.9208
87	DNN	0.9207
88	TYR	0.9205
89	HJD	0.9205
90	F98	0.9205
91	DA3	0.9204
92	1N5	0.9202
93	Q9Z	0.9201
94	YZM	0.9198
95	CXP	0.9196
96	AG2	0.9195
97	DKA	0.9193
98	LZ5	0.9190
99	SB7	0.9188
100	DXG	0.9185
101	1PS	0.9183
102	DZA	0.9182
103	4YZ	0.9182
104	PFF	0.9180
105	DTY	0.9179
106	5OY	0.9175
107	YOF	0.9174
108	KPV	0.9173
109	CCU	0.9173
110	DAH	0.9171
111	7XA	0.9171
112	FXY	0.9169
113	3YP	0.9168
114	11X	0.9168
115	6C5	0.9166
116	5PV	0.9163
117	M6H	0.9161
118	EN1	0.9161
119	RGP	0.9159
120	PRO GLY	0.9159
121	DDW	0.9158
122	GLR	0.9158
123	3H2	0.9154
124	XI7	0.9153
125	TCA	0.9153
126	HC4	0.9152
127	ODI	0.9149
128	3GZ	0.9149
129	B3U	0.9142
130	T03	0.9141
131	O45	0.9141
132	AE3	0.9140
133	OC9	0.9137
134	PO6	0.9137
135	HLP	0.9134
136	PBN	0.9132
137	DLT	0.9131
138	P81	0.9131
139	P7Y	0.9129
140	5KJ	0.9128
141	G3M	0.9126
142	TB8	0.9126
143	6C9	0.9125
144	HGA	0.9124
145	HPP	0.9121
146	4TP	0.9120
147	C82	0.9120
148	P93	0.9119
149	AHC	0.9117
150	0L1	0.9115
151	IVL	0.9115
152	HPL	0.9113
153	6FG	0.9113
154	E79	0.9112
155	650	0.9112
156	SPD	0.9112
157	TZM	0.9109
158	PPT	0.9109
159	DER	0.9106
160	KPC	0.9105
161	DIR	0.9103
162	XOG	0.9103
163	CUW	0.9093
164	TZP	0.9090
165	1BN	0.9090
166	NSD	0.9084
167	OJD	0.9083
168	JFM	0.9082
169	S2P	0.9081
170	4BF	0.9080
171	HIS	0.9079
172	ENO	0.9079
173	IYR	0.9079
174	2JJ	0.9078
175	PHI	0.9073
176	0A9	0.9068
177	J4K	0.9065
178	DIA	0.9064
179	AOT	0.9064
180	LL2	0.9063
181	TYC	0.9063
182	3VQ	0.9061
183	S0W	0.9061
184	MJW	0.9060
185	PPY	0.9059
186	EYJ	0.9058
187	OYA	0.9058
188	Q06	0.9055
189	KPA	0.9054
190	XIZ	0.9054
191	SB9	0.9052
192	MD6	0.9050
193	RP3	0.9050
194	5LD	0.9050
195	S8V	0.9046
196	TYE	0.9044
197	S7D	0.9037
198	848	0.9036
199	DPN	0.9035
200	2J3	0.9034
201	I58	0.9033
202	7C3	0.9030
203	GZ2	0.9030
204	KTA	0.9029
205	D10	0.9028
206	GAE	0.9028
207	7BC	0.9027
208	BNF	0.9024
209	F90	0.9023
210	KQY	0.9022
211	TOH	0.9021
212	4LW	0.9020
213	37E	0.9018
214	5TO	0.9013
215	SHV	0.9013
216	NWH	0.9012
217	6MW	0.9012
218	G14	0.9010
219	EQA	0.9010
220	ACA	0.9009
221	4LV	0.9008
222	IJ6	0.9005
223	1H1	0.9002
224	GO2	0.9000
225	AZM	0.8999
226	1L5	0.8998
227	FOM	0.8997
228	ISA	0.8996
229	C53	0.8995
230	HX8	0.8988
231	ODK	0.8987
232	KLS	0.8986
233	4BX	0.8984
234	HNL	0.8984
235	R10	0.8983
236	3PG	0.8981
237	DHM	0.8981
238	HPO	0.8981
239	7UC	0.8978
240	3QO	0.8978
241	SHI	0.8978
242	BRH	0.8978
243	3IP	0.8977
244	GLY GLY GLY	0.8975
245	HSA	0.8973
246	PH3	0.8973
247	B40	0.8972
248	QFJ	0.8972
249	5DL	0.8972
250	MES	0.8969
251	HG3	0.8969
252	AKG	0.8966
253	SEP	0.8965
254	HL4	0.8965
255	RA7	0.8964
256	8SZ	0.8963
257	4Z0	0.8962
258	ZZA	0.8962
259	SOJ	0.8961
260	7R4	0.8961
261	NMH	0.8960
262	DXP	0.8960
263	492	0.8958
264	PA5	0.8957
265	SSC	0.8957
266	DEZ	0.8956
267	0A1	0.8956
268	YIE	0.8955
269	S0A	0.8952
270	MMS	0.8949
271	HPN	0.8947
272	9GB	0.8946
273	2HC	0.8944
274	DYT	0.8941
275	HXY	0.8941
276	4FE	0.8940
277	TPM	0.8939
278	4XF	0.8937
279	268	0.8936
280	FER	0.8935
281	JF5	0.8935
282	QH3	0.8931
283	ABF	0.8931
284	X48	0.8928
285	S8D	0.8927
286	EQW	0.8925
287	KLE	0.8925
288	BSA	0.8924
289	GJK	0.8922
290	F06	0.8921
291	LLH	0.8920
292	VC3	0.8919
293	JPQ	0.8918
294	6Q3	0.8918
295	ALE	0.8915
296	36M	0.8915
297	D4G	0.8914
298	ALA GLU	0.8913
299	258	0.8911
300	GLU	0.8911
301	0NX	0.8909
302	92G	0.8909
303	TBJ	0.8909
304	7MW	0.8908
305	GGG	0.8908
306	R9J	0.8907
307	DI6	0.8907
308	MEQ	0.8906
309	PAU	0.8905
310	RQD	0.8904
311	D8Q	0.8904
312	6HO	0.8904
313	GNW	0.8903
314	9VQ	0.8903
315	13P	0.8903
316	9C2	0.8902
317	YIP	0.8900
318	BZQ	0.8900
319	TMG	0.8899
320	3VW	0.8898
321	M5E	0.8897
322	M74	0.8896
323	2FX	0.8893
324	PRA	0.8892
325	OGA	0.8892
326	IPO	0.8892
327	GCO	0.8891
328	HJH	0.8890
329	QUS	0.8890
330	A5E	0.8887
331	B41	0.8886
332	GOE	0.8886
333	BL0	0.8884
334	BHU	0.8882
335	I2E	0.8880
336	E0O	0.8879
337	0XR	0.8878
338	N6C	0.8877
339	HX4	0.8877
340	3CX	0.8875
341	SNR	0.8875
342	YPN	0.8873
343	M5B	0.8872
344	CUQ	0.8871
345	K6V	0.8868
346	5DS	0.8868
347	5XA	0.8867
348	KYN	0.8866
349	YIH	0.8865
350	5O5	0.8865
351	GVY	0.8865
352	795	0.8864
353	LT1	0.8864
354	4KJ	0.8862
355	7O4	0.8861
356	DMA	0.8861
357	Y3L	0.8860
358	56D	0.8860
359	S8G	0.8858
360	AT3	0.8857
361	3OL	0.8855
362	3OM	0.8855
363	14W	0.8854
364	PMV	0.8854
365	R5P	0.8853
366	263	0.8853
367	1X4	0.8850
368	R2P	0.8850
369	6XA	0.8849
370	6C8	0.8849
371	SSB	0.8848
372	S0F	0.8847
373	FHC	0.8847
374	BP7	0.8846
375	DX5	0.8846
376	8CC	0.8845
377	61M	0.8845
378	1YO	0.8845
379	LXP	0.8845
380	I38	0.8845
381	6FR	0.8844
382	OHJ	0.8844
383	TIH	0.8844
384	47V	0.8842
385	4FP	0.8842
386	GLN	0.8841
387	FHV	0.8838
388	ONL	0.8837
389	RAT	0.8837
390	6ZX	0.8835
391	P58	0.8834
392	A5P	0.8833
393	RE4	0.8832
394	IAC	0.8830
395	XCG	0.8829
396	ATX	0.8829
397	FB5	0.8829
398	CS2	0.8827
399	G3P	0.8827
400	7VP	0.8827
401	BVS	0.8826
402	5SP	0.8826
403	H35	0.8825
404	QIV	0.8825
405	IPE	0.8824
406	RP5	0.8823
407	LX1	0.8823
408	CCD	0.8820
409	D3G	0.8818
410	NYL	0.8817
411	ASF	0.8816
412	XDE	0.8816
413	54F	0.8815
414	EOU	0.8815
415	68B	0.8812
416	MVH	0.8812
417	E4P	0.8809
418	AMQ	0.8809
419	2D2	0.8808
420	Q04	0.8807
421	G3H	0.8807
422	M75	0.8805
423	HHI	0.8802
424	FZM	0.8802
425	NTU	0.8800
426	DED	0.8800
427	M45	0.8799
428	ZIP	0.8799
429	SME	0.8799
430	HPV	0.8798
431	TRP	0.8798
432	CXH	0.8797
433	HSX	0.8795
434	RES	0.8794
435	L22	0.8794
436	QME	0.8793
437	GB4	0.8790
438	6P3	0.8790
439	XQI	0.8789
440	2IT	0.8789
441	GGL	0.8789
442	N7I	0.8788
443	1OV	0.8787
444	PTB	0.8786
445	BZM	0.8786
446	9BF	0.8786
447	3XH	0.8785
448	2FT	0.8784
449	0ON	0.8783
450	PLP	0.8781
451	A3M	0.8781
452	JMG	0.8780
453	DHI	0.8780
454	9B3	0.8780
455	MSL	0.8780
456	DGL	0.8779
457	22F	0.8778
458	X1R	0.8777
459	NF3	0.8777
460	0OL	0.8776
461	HL6	0.8775
462	4CF	0.8771
463	S2G	0.8771
464	0K7	0.8770
465	P3S	0.8769
466	1VK	0.8765
467	363	0.8764
468	E3X	0.8762
469	CBE	0.8761
470	NK5	0.8759
471	27K	0.8759
472	BNL	0.8759
473	5H6	0.8758
474	BPW	0.8757
475	YE6	0.8755
476	MPV	0.8755
477	FWD	0.8755
478	1A5	0.8754
479	A5H	0.8754
480	Y4L	0.8754
481	6L6	0.8753
482	9JT	0.8753
483	N2Y	0.8752
484	EYV	0.8751
485	5WN	0.8751
486	LR2	0.8750
487	6J5	0.8750
488	GUA	0.8747
489	B3M	0.8746
490	WA2	0.8744
491	5OO	0.8743
492	S0D	0.8743
493	JCZ	0.8742
494	FF2	0.8741
495	KTJ	0.8740
496	TX4	0.8739
497	SYM	0.8739
498	5WZ	0.8736
499	DGN	0.8735
500	3VX	0.8735
501	TL6	0.8733
502	IOP	0.8733
503	IP8	0.8731
504	0QA	0.8731
505	9ON	0.8731
506	A8K	0.8729
507	3HG	0.8729
508	LDP	0.8729
509	GPJ	0.8728
510	GPF	0.8728
511	S6P	0.8727
512	5RP	0.8727
513	152	0.8727
514	D2G	0.8725
515	1Z6	0.8725
516	SOL	0.8725
517	FZ3	0.8724
518	U4G	0.8723
519	PLR	0.8721
520	2HG	0.8717
521	CFA	0.8717
522	9SE	0.8717
523	8GL	0.8716
524	ZRK	0.8716
525	MNP	0.8713
526	J9N	0.8712
527	6SD	0.8712
528	GP9	0.8711
529	KMY	0.8710
530	OCT	0.8710
531	URO	0.8708
532	SOR	0.8707
533	KMH	0.8705
534	WA1	0.8705
535	ERZ	0.8703
536	TLM	0.8702
537	0OY	0.8701
538	LO1	0.8700
539	HWD	0.8700
540	LSQ	0.8700
541	4Z3	0.8699
542	DHY	0.8698
543	RKV	0.8698
544	MHO	0.8697
545	LJ1	0.8696
546	3C4	0.8696
547	3VS	0.8695
548	XX3	0.8695
549	F6R	0.8694
550	N91	0.8694
551	HNM	0.8692
552	CPZ	0.8692
553	XDK	0.8691
554	3S5	0.8691
555	50C	0.8690
556	BQ2	0.8690
557	FCD	0.8687
558	MUK	0.8687
559	JAH	0.8683
560	41K	0.8682
561	M6R	0.8682
562	IPR	0.8681
563	PGH	0.8681
564	PAN	0.8681
565	MT2	0.8680
566	MSR	0.8678
567	8CV	0.8677
568	OKP	0.8674
569	SNU	0.8673
570	D1G	0.8672
571	1HR	0.8669
572	V15	0.8669
573	K7M	0.8669
574	CIY	0.8667
575	U13	0.8667
576	3CR	0.8666
577	129	0.8666
578	3D3	0.8659
579	ZEA	0.8655
580	CHH	0.8655
581	PC	0.8655
582	CCE	0.8653
583	F18	0.8652
584	1GP	0.8651
585	X6P	0.8649
586	AEH	0.8648
587	2ED	0.8648
588	H4E	0.8645
589	CK2	0.8645
590	HE8	0.8642
591	TID	0.8642
592	KTW	0.8642
593	VM1	0.8641
594	EIP	0.8641
595	HHH	0.8640
596	IOS	0.8637
597	0SY	0.8636
598	DST	0.8636
599	ALA ALA	0.8635
600	JZA	0.8634
601	0OP	0.8633
602	EGR	0.8632
603	FPL	0.8631
604	ISY	0.8630
605	RUJ	0.8630
606	ESX	0.8629
607	A5Q	0.8628
608	5VU	0.8627
609	D9Z	0.8626
610	B21	0.8626
611	MET	0.8623
612	TAG	0.8622
613	AAN	0.8620
614	GLO	0.8618
615	YTX	0.8616
616	RNO	0.8615
617	IWT	0.8614
618	XEN	0.8612
619	F4E	0.8611
620	ICT	0.8608
621	J6W	0.8607
622	36Y	0.8605
623	OJM	0.8605
624	DTR	0.8604
625	G6Q	0.8601
626	G6P	0.8599
627	C5A	0.8599
628	PSE	0.8598
629	A29	0.8598
630	RTK	0.8597
631	ESP	0.8595
632	80G	0.8590
633	AEF	0.8589
634	F63	0.8589
635	STT	0.8588
636	SNO	0.8588
637	BZE	0.8587
638	K6H	0.8586
639	SX2	0.8586
640	AMH	0.8584
641	ESI	0.8581
642	3LJ	0.8580
643	55D	0.8580
644	6TZ	0.8579
645	78Y	0.8577
646	EVF	0.8576
647	1A7	0.8569
648	428	0.8565
649	LNR	0.8564
650	8YH	0.8562
651	NM3	0.8562
652	9ZE	0.8561
653	R20	0.8557
654	7EH	0.8550
655	YTZ	0.8550
656	6PG	0.8548
657	DTB	0.8546
658	M1Z	0.8545
659	AFS	0.8534
660	6KT	0.8531
661	0F3	0.8517
662	AGP	0.8514
663	CWD	0.8510

Ligand no: 2; Ligand: HBI; Similar ligands found: 1139

No:	Ligand	Similarity coefficient
1	H2B	1.0000
2	H4B	1.0000
3	4AB	0.9981
4	BHS	0.9907
5	7AP	0.9846
6	NEO	0.9782
7	BIO	0.9737
8	0J4	0.9659
9	NEU	0.9657
10	N0Z	0.9603
11	7PJ	0.9596
12	MPU	0.9566
13	HHS	0.9565
14	8Y7	0.9549
15	NPX	0.9548
16	0J5	0.9532
17	2K8	0.9508
18	B52	0.9485
19	B61	0.9468
20	AP6	0.9465
21	KP2	0.9442
22	M78	0.9419
23	NPS	0.9418
24	B56	0.9414
25	Q0K	0.9400
26	GXG	0.9382
27	H4B NO	0.9379
28	RSV	0.9364
29	GO8	0.9352
30	PMM	0.9348
31	DX2	0.9344
32	HHR	0.9334
33	5TY	0.9330
34	92O	0.9325
35	Z25	0.9316
36	YZ9	0.9307
37	FT6	0.9297
38	BGU	0.9289
39	FF2	0.9288
40	S60	0.9288
41	N1E	0.9275
42	T1N	0.9272
43	KF5	0.9266
44	SJK	0.9264
45	ZIP	0.9256
46	3N1	0.9254
47	MS0	0.9252
48	0FK	0.9248
49	ZEC	0.9248
50	1Q4	0.9243
51	5VU	0.9242
52	5V7	0.9241
53	7PS	0.9240
54	3VX	0.9238
55	DBS	0.9237
56	AX4	0.9231
57	N91	0.9230
58	ZEA	0.9230
59	22L	0.9230
60	4NR	0.9229
61	CC5	0.9223
62	8HC	0.9218
63	WS7	0.9215
64	0J2	0.9212
65	EYJ	0.9211
66	CX6	0.9208
67	1BW	0.9205
68	X04	0.9204
69	EV2	0.9202
70	P1J	0.9199
71	2WU	0.9199
72	TCR	0.9198
73	AMR	0.9196
74	W23	0.9194
75	GEN	0.9194
76	WV7	0.9192
77	OA4	0.9191
78	0SY	0.9191
79	AJ1	0.9187
80	5AD	0.9184
81	TRP	0.9184
82	SG2	0.9177
83	1QV	0.9175
84	0OK	0.9175
85	AX5	0.9174
86	AC2	0.9174
87	EYY	0.9173
88	RVE	0.9169
89	D64	0.9167
90	CHQ	0.9165
91	B21	0.9165
92	CG	0.9163
93	OLU	0.9162
94	MPP	0.9162
95	N18	0.9159
96	X0T	0.9155
97	FYR	0.9155
98	5SJ	0.9154
99	AUE	0.9154
100	QIV	0.9154
101	SKF	0.9153
102	2QU	0.9151
103	FQX	0.9151
104	CDY	0.9146
105	STZ	0.9145
106	3SU	0.9144
107	6FB	0.9144
108	5S9	0.9143
109	4Z1	0.9141
110	8DA	0.9133
111	EQA	0.9132
112	OA1	0.9131
113	CTE	0.9129
114	SYE	0.9127
115	S0E	0.9126
116	BQ2	0.9125
117	IQW	0.9124
118	V1T	0.9122
119	68A	0.9121
120	BGN	0.9119
121	0FR	0.9119
122	PIQ	0.9117
123	FNT	0.9116
124	NAL	0.9116
125	JA3	0.9116
126	GJW	0.9115
127	LZ2	0.9115
128	MD6	0.9112
129	K7H	0.9111
130	ZYR	0.9111
131	54X	0.9110
132	EES	0.9108
133	ZYQ	0.9108
134	WUB	0.9106
135	5NN	0.9106
136	FDR	0.9102
137	N2M	0.9098
138	PLP	0.9097
139	2QV	0.9097
140	ZEZ	0.9096
141	S98	0.9096
142	GA2	0.9095
143	HNT	0.9095
144	B5A	0.9094
145	Z17	0.9094
146	FCD	0.9094
147	DTE	0.9093
148	Y3L	0.9092
149	S0G	0.9089
150	HA6	0.9088
151	WS6	0.9088
152	UAY	0.9087
153	9UL	0.9087
154	GZV	0.9086
155	LFN	0.9086
156	AUG	0.9085
157	IL5	0.9085
158	5ER	0.9084
159	PMP	0.9083
160	CUH	0.9079
161	5E5	0.9078
162	G30	0.9078
163	EI1	0.9077
164	YE6	0.9076
165	THA	0.9076
166	PRL	0.9076
167	KMY	0.9071
168	VUP	0.9070
169	EUH	0.9070
170	4KL	0.9070
171	39Z	0.9069
172	7L4	0.9066
173	657	0.9065
174	LTN	0.9065
175	ZHA	0.9065
176	EUE	0.9065
177	0JD	0.9064
178	DE7	0.9063
179	MP5	0.9062
180	2J2	0.9062
181	4I8	0.9061
182	3Y7	0.9061
183	MQG	0.9060
184	30G	0.9059
185	2GQ	0.9057
186	DCF	0.9056
187	5NS	0.9056
188	46M	0.9055
189	E1T	0.9051
190	FY8	0.9049
191	DRG	0.9049
192	E1K	0.9049
193	BVS	0.9048
194	14Z	0.9048
195	BBY	0.9044
196	XCG	0.9043
197	ONZ	0.9040
198	D9Z	0.9039
199	ARP	0.9036
200	JF2	0.9036
201	6DQ	0.9034
202	2FD	0.9032
203	KYN	0.9030
204	3D1	0.9028
205	3L1	0.9028
206	GNG	0.9028
207	4FE	0.9027
208	BG6	0.9026
209	JWS	0.9025
210	MUX	0.9024
211	3GX	0.9023
212	CL9	0.9021
213	3WJ	0.9021
214	XI7	0.9021
215	M9K	0.9020
216	9KZ	0.9019
217	APS	0.9019
218	2PV	0.9019
219	JF8	0.9018
220	TMG	0.9017
221	1ZC	0.9016
222	3AD	0.9015
223	S7G	0.9015
224	MFR	0.9015
225	AJG	0.9015
226	4WF	0.9014
227	3J8	0.9013
228	FT2	0.9013
229	9BF	0.9012
230	ZON	0.9012
231	1DR	0.9012
232	0DF	0.9012
233	8D6	0.9011
234	MDR	0.9010
235	P9E	0.9010
236	0GA	0.9009
237	D8Q	0.9009
238	QME	0.9006
239	YE7	0.9006
240	I2E	0.9006
241	4AU	0.9005
242	ITE	0.9005
243	9DI	0.9004
244	4Z9	0.9004
245	Z21	0.9003
246	GW3	0.9003
247	AVX	0.9003
248	5WT	0.9002
249	G6P	0.9001
250	FSU	0.9001
251	KLV	0.9000
252	WSD	0.9000
253	B41	0.8999
254	DTR	0.8999
255	4BX	0.8998
256	BDI	0.8997
257	PE2	0.8996
258	6L6	0.8995
259	3GC	0.8995
260	2JX	0.8994
261	4EU	0.8994
262	E6Q	0.8993
263	96Z	0.8993
264	47X	0.8993
265	7D7	0.8993
266	5GV	0.8992
267	6MD	0.8990
268	6KT	0.8990
269	9JT	0.8990
270	5XL	0.8988
271	5UD	0.8988
272	ADN	0.8988
273	MUK	0.8988
274	ANC	0.8987
275	1FL	0.8986
276	FCW	0.8985
277	3D8	0.8985
278	4R1	0.8985
279	YF3	0.8984
280	TBN	0.8984
281	7MW	0.8983
282	FM1	0.8983
283	697	0.8982
284	2PK	0.8982
285	2P3	0.8981
286	5F1	0.8980
287	FMB	0.8980
288	D1G	0.8980
289	0HY	0.8979
290	22T	0.8978
291	AD3	0.8978
292	6QF	0.8978
293	FPL	0.8977
294	C53	0.8975
295	9ZE	0.8974
296	BZJ	0.8974
297	GDL	0.8973
298	NPA	0.8973
299	GJK	0.8972
300	Y0V	0.8972
301	IOS	0.8971
302	FC2	0.8971
303	KWB	0.8970
304	XYA	0.8970
305	344	0.8970
306	3AK	0.8969
307	0NJ	0.8969
308	1DA	0.8969
309	M3F	0.8968
310	PLP PMP	0.8968
311	PZP	0.8968
312	537	0.8968
313	5OR	0.8967
314	F5C	0.8965
315	P0P	0.8964
316	5FD	0.8963
317	LUM	0.8963
318	DBM	0.8962
319	WLH	0.8961
320	5N5	0.8961
321	NOS	0.8961
322	15N	0.8961
323	8MO	0.8961
324	A	0.8960
325	9R5	0.8960
326	X0U	0.8960
327	5C1	0.8959
328	LJ4	0.8959
329	1FE	0.8959
330	KTW	0.8959
331	1HR	0.8958
332	ZZZ	0.8958
333	AQN	0.8958
334	3DT	0.8955
335	MJ5	0.8955
336	EXD	0.8955
337	7FU	0.8954
338	363	0.8953
339	JYK	0.8953
340	6HO	0.8953
341	GJP	0.8953
342	JOB	0.8951
343	FER	0.8951
344	NAG	0.8950
345	A4D	0.8950
346	NOC	0.8949
347	ARJ	0.8949
348	SLS	0.8949
349	EYM	0.8949
350	JAK	0.8949
351	7EH	0.8946
352	LP8	0.8945
353	CMU	0.8945
354	ANF	0.8945
355	PLR	0.8944
356	JO5	0.8944
357	5M2	0.8943
358	KWH	0.8943
359	UQ1	0.8943
360	5WK	0.8941
361	JY2	0.8941
362	GXD	0.8941
363	QMS	0.8941
364	NIY	0.8940
365	S8G	0.8940
366	C2M	0.8939
367	A5Q	0.8939
368	4BY	0.8938
369	BNX	0.8937
370	GNY	0.8937
371	6QT	0.8937
372	R4E	0.8936
373	8OX	0.8936
374	JYW	0.8935
375	IXG	0.8935
376	4L2	0.8935
377	ZIQ	0.8933
378	AUV	0.8933
379	H35	0.8931
380	RCV	0.8931
381	EYV	0.8931
382	DXK	0.8930
383	FMC	0.8929
384	5I5	0.8929
385	HRM	0.8928
386	MFZ	0.8926
387	S7D	0.8926
388	DHC	0.8925
389	CEG	0.8925
390	2O6	0.8924
391	EAE	0.8924
392	X48	0.8924
393	Q8G	0.8924
394	2LW	0.8924
395	F40	0.8920
396	GO2	0.8920
397	LVY	0.8920
398	2L2	0.8919
399	ZYV	0.8919
400	M5H	0.8919
401	1CY	0.8919
402	9CE	0.8918
403	JF1	0.8918
404	HRD	0.8917
405	II4	0.8917
406	19E	0.8917
407	L21	0.8916
408	JXK	0.8916
409	M6P	0.8916
410	LL1	0.8915
411	CX4	0.8915
412	1A7	0.8915
413	NIF	0.8914
414	3QV	0.8914
415	3R4	0.8914
416	109	0.8913
417	8NX	0.8912
418	A7H	0.8912
419	549	0.8912
420	3LJ	0.8911
421	IQZ	0.8911
422	78P	0.8910
423	25F	0.8909
424	789	0.8908
425	C93	0.8908
426	HJB	0.8908
427	H75	0.8906
428	54E	0.8906
429	JXT	0.8905
430	PUE	0.8905
431	HH6	0.8905
432	5WS	0.8904
433	ZRL	0.8904
434	NQ7	0.8904
435	2J1	0.8904
436	KW8	0.8904
437	Q8D	0.8903
438	AA	0.8903
439	PRH	0.8901
440	HPR	0.8901
441	2FA	0.8901
442	L07	0.8901
443	YOF	0.8901
444	AZN	0.8901
445	MNS	0.8901
446	428	0.8899
447	2FX	0.8899
448	EF2	0.8899
449	MIL	0.8899
450	PXP	0.8898
451	GLP	0.8898
452	GB4	0.8898
453	E9S	0.8897
454	CK2	0.8897
455	AEY	0.8896
456	2L1	0.8896
457	21D	0.8896
458	DAH	0.8895
459	BC3	0.8894
460	ENG	0.8894
461	BP7	0.8893
462	RE4	0.8892
463	KYA	0.8892
464	535	0.8892
465	EVF	0.8892
466	JYE	0.8891
467	BA5	0.8891
468	1V4	0.8890
469	120	0.8890
470	GNR	0.8889
471	0OO	0.8889
472	2UD	0.8889
473	28A	0.8888
474	2LT	0.8888
475	8M5	0.8887
476	NYJ	0.8886
477	ETV	0.8886
478	57D	0.8886
479	CNI	0.8885
480	X2M	0.8884
481	XFE	0.8884
482	0UL	0.8883
483	M77	0.8883
484	RGK	0.8883
485	6HP	0.8882
486	DT7	0.8882
487	801	0.8882
488	L15	0.8881
489	THM	0.8881
490	26C	0.8881
491	XIF XYP	0.8880
492	XYP XIF	0.8880
493	3F4	0.8880
494	3XH	0.8880
495	7MX	0.8880
496	GMP	0.8880
497	MXD	0.8880
498	ZRK	0.8878
499	FWD	0.8878
500	7EL	0.8878
501	3ZB	0.8878
502	LWS	0.8877
503	SZ5	0.8877
504	J38	0.8877
505	IMH	0.8877
506	NPL	0.8877
507	UNJ	0.8877
508	9FH	0.8877
509	BHQ	0.8877
510	1V3	0.8876
511	6ZW	0.8876
512	UN9	0.8875
513	15Q	0.8875
514	C9M	0.8873
515	Q5M	0.8873
516	49P	0.8873
517	CUQ	0.8873
518	DX6	0.8873
519	A5H	0.8873
520	5MD	0.8872
521	1HN	0.8871
522	GNV	0.8871
523	CIY	0.8871
524	TCC	0.8870
525	DUR	0.8868
526	B86	0.8868
527	3WK	0.8868
528	UA2	0.8867
529	RAB	0.8867
530	1A5	0.8867
531	1EB	0.8866
532	RZH	0.8866
533	TSR	0.8865
534	IAC	0.8865
535	6CR	0.8864
536	CZ0	0.8864
537	4RU	0.8864
538	LI7	0.8863
539	PIC	0.8862
540	TCL	0.8862
541	96U	0.8862
542	PQM	0.8862
543	XIL	0.8860
544	XDL XYP	0.8860
545	5B2	0.8860
546	JA5	0.8859
547	4CN	0.8859
548	FM2	0.8859
549	28N	0.8859
550	5GT	0.8858
551	51Y	0.8858
552	3UG	0.8857
553	9H2	0.8857
554	SNI	0.8857
555	27B	0.8856
556	DCZ	0.8856
557	1HP	0.8856
558	CP6	0.8856
559	NDG	0.8856
560	KW7	0.8855
561	1EL	0.8854
562	848	0.8854
563	BGP	0.8854
564	H5B	0.8854
565	1VK	0.8853
566	1V1	0.8852
567	IS2	0.8852
568	HBO	0.8851
569	PQS	0.8851
570	0LA	0.8850
571	3VQ	0.8850
572	QMR	0.8850
573	M2E	0.8849
574	AWE	0.8849
575	RDT	0.8848
576	MAJ	0.8848
577	K97	0.8847
578	XYP XYP	0.8847
579	M02	0.8846
580	KU1	0.8846
581	3CA	0.8846
582	397	0.8845
583	CR4	0.8844
584	P4L	0.8843
585	5WN	0.8843
586	20D	0.8843
587	JYT	0.8843
588	JAH	0.8843
589	78U	0.8842
590	EEK	0.8842
591	4UO	0.8842
592	ZZA	0.8842
593	THU	0.8842
594	61M	0.8842
595	GI4	0.8841
596	4GU	0.8841
597	PTB	0.8841
598	MCY	0.8841
599	6EL	0.8841
600	78Y	0.8840
601	5VL	0.8839
602	C2Y	0.8839
603	A5P	0.8839
604	8XL	0.8837
605	ESI	0.8837
606	C4E	0.8837
607	TGW	0.8837
608	6Q3	0.8836
609	JBZ	0.8836
610	89J	0.8835
611	96R	0.8835
612	WG8	0.8834
613	7G0	0.8834
614	N8Y	0.8833
615	JCZ	0.8833
616	BMZ	0.8833
617	S0D	0.8832
618	WCU	0.8832
619	A6W	0.8832
620	PQT	0.8832
621	OQC	0.8832
622	4NS	0.8832
623	JOV	0.8831
624	XG1	0.8831
625	Y70	0.8831
626	2KA	0.8831
627	EXG	0.8830
628	DFL	0.8830
629	LZB	0.8829
630	52F	0.8828
631	LOT	0.8828
632	27K	0.8827
633	88R	0.8827
634	JP2	0.8827
635	IOP	0.8824
636	12R	0.8822
637	2KU	0.8822
638	AH6	0.8822
639	PEY	0.8822
640	3VW	0.8822
641	5NE	0.8822
642	HA5	0.8821
643	774	0.8819
644	124	0.8819
645	AP4	0.8819
646	BSA	0.8818
647	BZQ	0.8818
648	D1Y	0.8816
649	UFO	0.8816
650	D2G	0.8816
651	H7S	0.8816
652	8W9	0.8815
653	GHM	0.8815
654	AU8	0.8815
655	DPT	0.8814
656	6J5	0.8814
657	T98	0.8813
658	NLA	0.8813
659	272	0.8813
660	A73	0.8811
661	LR2	0.8811
662	PYU	0.8810
663	A6P	0.8810
664	AVA	0.8807
665	ZAR	0.8807
666	3VS	0.8807
667	5P3	0.8807
668	92G	0.8806
669	3EB	0.8806
670	Q9P	0.8803
671	M3Q	0.8803
672	DNA	0.8800
673	EQU	0.8800
674	ZTW	0.8799
675	KOM	0.8799
676	PTS	0.8798
677	12T	0.8798
678	42R	0.8798
679	TIY	0.8797
680	N4E	0.8797
681	N7I	0.8796
682	MOK	0.8796
683	88X	0.8796
684	CWD	0.8795
685	LLT	0.8795
686	EZL	0.8795
687	GI1	0.8795
688	PZ8	0.8794
689	LZJ	0.8794
690	3BH	0.8794
691	JY4	0.8793
692	3JC	0.8792
693	CDJ	0.8791
694	1AJ	0.8789
695	NK5	0.8789
696	5XK	0.8788
697	B2L	0.8788
698	TYP	0.8788
699	LR8	0.8786
700	4B0	0.8786
701	6P3	0.8785
702	8HG	0.8785
703	VXX	0.8785
704	EE8	0.8784
705	BB4	0.8783
706	6X9	0.8783
707	27M	0.8781
708	OCZ	0.8781
709	SWX	0.8780
710	W29	0.8779
711	EYA	0.8779
712	B2E	0.8778
713	4CF	0.8778
714	KWQ	0.8778
715	OX2	0.8777
716	0DN	0.8777
717	5BT	0.8777
718	26A	0.8776
719	QIF	0.8776
720	NRA	0.8776
721	AOY	0.8775
722	2J5	0.8775
723	NQH	0.8775
724	I4D	0.8775
725	EST	0.8775
726	IPD	0.8774
727	GC2	0.8774
728	092	0.8773
729	DNQ	0.8773
730	BPY	0.8773
731	V13	0.8772
732	SQV	0.8772
733	ELH	0.8772
734	36M	0.8771
735	1SF	0.8771
736	AN3	0.8771
737	795	0.8771
738	PRF	0.8771
739	M01	0.8770
740	VC3	0.8770
741	ZME	0.8770
742	NDD	0.8768
743	BWD	0.8768
744	NKI	0.8766
745	3IP	0.8766
746	P4T	0.8766
747	CP7	0.8765
748	1QP	0.8764
749	M6D	0.8764
750	VT3	0.8763
751	M3W	0.8763
752	EGR	0.8763
753	CPW	0.8763
754	CU8	0.8763
755	ENO	0.8762
756	ESX	0.8761
757	HVE	0.8760
758	JRO	0.8760
759	0OL	0.8760
760	536	0.8759
761	5NB	0.8759
762	92P	0.8759
763	AJY	0.8758
764	FMQ	0.8758
765	KJ5	0.8758
766	L2K	0.8757
767	XYP XDN	0.8757
768	ALE	0.8756
769	MUR	0.8756
770	MTP	0.8755
771	9FE	0.8755
772	SQM	0.8755
773	3WN	0.8754
774	3WO	0.8754
775	38B	0.8754
776	DBE	0.8754
777	555	0.8753
778	6WL	0.8753
779	DDU	0.8753
780	5F5	0.8753
781	5TZ	0.8752
782	S7V	0.8751
783	1XS	0.8751
784	F01	0.8750
785	CKA	0.8749
786	LZ5	0.8748
787	D3G	0.8748
788	9TF	0.8748
789	AZM	0.8748
790	A05	0.8746
791	PVQ	0.8746
792	1OT	0.8746
793	4UM	0.8745
794	ODK	0.8743
795	EV3	0.8743
796	G1P	0.8743
797	P2L	0.8742
798	CUT	0.8741
799	LDC	0.8740
800	JTF	0.8740
801	6SD	0.8740
802	CUE	0.8740
803	5ID	0.8739
804	L03	0.8739
805	IQ5	0.8739
806	6E8	0.8739
807	3QI	0.8738
808	QNM	0.8738
809	RPP	0.8737
810	PF1	0.8737
811	2AX	0.8737
812	KMP	0.8737
813	MNP	0.8737
814	1F1	0.8736
815	K68	0.8736
816	HO6	0.8736
817	GVY	0.8735
818	JGB	0.8735
819	OUB	0.8734
820	PVK	0.8734
821	D87	0.8734
822	XRS	0.8734
823	RKN	0.8733
824	TXW	0.8732
825	I59	0.8730
826	H70	0.8730
827	833	0.8730
828	5XM	0.8730
829	MMS	0.8729
830	QH3	0.8729
831	4MP	0.8728
832	AJ4	0.8728
833	MI2	0.8727
834	AZC	0.8727
835	56N	0.8726
836	HFT	0.8725
837	KCH	0.8724
838	64E	0.8723
839	CX5	0.8723
840	GOE	0.8723
841	CLZ	0.8723
842	4NP	0.8722
843	L3L	0.8721
844	9GP	0.8721
845	GB5	0.8721
846	UL1	0.8721
847	L1T	0.8721
848	GNJ	0.8721
849	M4E	0.8721
850	C0W	0.8720
851	JTA	0.8720
852	TIA	0.8720
853	KLK	0.8720
854	5CD	0.8719
855	NWD	0.8718
856	J1K	0.8718
857	IDD	0.8717
858	JVQ	0.8717
859	5RO	0.8717
860	LJ3	0.8717
861	CGW	0.8716
862	DBQ	0.8715
863	GNM	0.8715
864	CR1	0.8714
865	GFE	0.8714
866	2D2	0.8714
867	MQB	0.8712
868	FTV	0.8712
869	H2W	0.8711
870	CH9	0.8711
871	9FG	0.8711
872	W8L	0.8710
873	0LO	0.8710
874	NVU	0.8710
875	D6G	0.8708
876	GJB	0.8706
877	IQP	0.8705
878	LNR	0.8705
879	M6Z	0.8704
880	EMO	0.8704
881	CFA	0.8703
882	N2I	0.8703
883	QR2	0.8703
884	YIH	0.8702
885	PNP	0.8702
886	6NI	0.8702
887	RUG	0.8701
888	CBE	0.8701
889	5WU	0.8700
890	PJW	0.8700
891	IWD	0.8699
892	X6P	0.8699
893	AH9	0.8699
894	9OF	0.8699
895	S7S	0.8699
896	372	0.8699
897	TYR	0.8698
898	LIP	0.8697
899	ADL	0.8697
900	6JO	0.8697
901	3RP	0.8696
902	9E3	0.8696
903	V2Z	0.8696
904	LO1	0.8696
905	JDN	0.8696
906	9FL	0.8696
907	SX3	0.8696
908	44V	0.8695
909	6ME	0.8695
910	BVA	0.8695
911	A4V	0.8694
912	EQW	0.8694
913	8EQ	0.8694
914	0OY	0.8693
915	2LY	0.8693
916	CSN	0.8692
917	6DH	0.8691
918	TQ3	0.8691
919	0RY	0.8690
920	CLI	0.8690
921	7I2	0.8690
922	4ZF	0.8690
923	5LA	0.8690
924	3WL	0.8689
925	YO5	0.8689
926	ICB	0.8689
927	AGI	0.8688
928	ESP	0.8687
929	QX4	0.8687
930	EN1	0.8686
931	FHC	0.8686
932	KLS	0.8686
933	A2G	0.8685
934	DQU	0.8685
935	8G6	0.8685
936	H4E	0.8684
937	9LI	0.8684
938	DNF	0.8683
939	TB8	0.8682
940	4BL	0.8682
941	11X	0.8681
942	B0K	0.8680
943	A4N	0.8679
944	SNB	0.8678
945	C9E	0.8677
946	5OO	0.8677
947	JB8	0.8677
948	S8A	0.8677
949	68B	0.8677
950	GI3	0.8677
951	ID2	0.8676
952	TI7	0.8676
953	FZM	0.8674
954	NQ8	0.8674
955	MTH	0.8673
956	XTS	0.8673
957	NIR	0.8672
958	TMC	0.8672
959	531	0.8671
960	A9B	0.8671
961	RVD	0.8669
962	MTA	0.8668
963	NTF	0.8668
964	4VS	0.8668
965	67Y	0.8667
966	BIH	0.8666
967	H52	0.8666
968	F4U	0.8665
969	64F	0.8665
970	S46	0.8665
971	CC6	0.8665
972	3A9	0.8663
973	5TT	0.8662
974	BIE	0.8662
975	STT	0.8662
976	LDR	0.8661
977	CTN	0.8661
978	5O6	0.8660
979	SNV	0.8660
980	BJ4	0.8659
981	AJD	0.8659
982	TID	0.8659
983	1KX	0.8657
984	XYS XYP	0.8656
985	NXB	0.8654
986	QBP	0.8654
987	WDW	0.8653
988	94W	0.8653
989	AAN	0.8652
990	B23	0.8651
991	E7S	0.8651
992	GRX	0.8650
993	LEL	0.8650
994	X11	0.8650
995	7QV	0.8649
996	BHM	0.8649
997	PPN	0.8648
998	0K7	0.8648
999	GJG	0.8647
1000	4FF	0.8647
1001	27F	0.8646
1002	ALX	0.8645
1003	TR4	0.8645
1004	VM1	0.8643
1005	8ZE	0.8642
1006	MG7	0.8641
1007	U7E	0.8641
1008	IXM	0.8640
1009	GZ2	0.8639
1010	E3X	0.8639
1011	JXW	0.8638
1012	6VD	0.8638
1013	J27	0.8638
1014	0HN	0.8637
1015	SRO	0.8637
1016	WOE	0.8636
1017	1IT	0.8635
1018	9CA	0.8635
1019	HMD	0.8635
1020	613	0.8634
1021	Q9T	0.8634
1022	2JK	0.8634
1023	041	0.8633
1024	8U3	0.8633
1025	L22	0.8632
1026	ST1	0.8632
1027	6J9	0.8632
1028	0FO	0.8632
1029	B62	0.8630
1030	G14	0.8630
1031	MW5	0.8628
1032	0HO	0.8628
1033	JTH	0.8628
1034	TQU	0.8628
1035	4I5	0.8627
1036	JAW	0.8625
1037	YTX	0.8624
1038	CXH	0.8624
1039	4MB	0.8623
1040	6BK	0.8623
1041	GT1	0.8622
1042	K25	0.8622
1043	ST3	0.8621
1044	EAT	0.8620
1045	JFS	0.8620
1046	5F8	0.8620
1047	XYP XYS	0.8619
1048	0NX	0.8619
1049	DHY	0.8618
1050	8NB	0.8617
1051	7R7	0.8616
1052	8GK	0.8616
1053	HWD	0.8614
1054	B4O	0.8613
1055	F4K	0.8613
1056	HC4	0.8611
1057	IA2	0.8611
1058	ALR	0.8611
1059	9AP	0.8610
1060	A4T	0.8610
1061	3TV	0.8609
1062	JG8	0.8608
1063	878	0.8608
1064	57O	0.8607
1065	R9Y	0.8605
1066	DT9	0.8605
1067	GL6	0.8604
1068	8UY	0.8604
1069	6NZ	0.8602
1070	GAL FUC	0.8601
1071	2FQ	0.8600
1072	ERZ	0.8600
1073	ABF	0.8599
1074	NWW	0.8599
1075	BZ2	0.8599
1076	0QA	0.8598
1077	MPK	0.8598
1078	K48	0.8596
1079	K82	0.8596
1080	NGA	0.8595
1081	M83	0.8595
1082	36E	0.8595
1083	N2Y	0.8594
1084	8CC	0.8593
1085	E35	0.8591
1086	MVN	0.8591
1087	J6W	0.8589
1088	7CT	0.8588
1089	NE2	0.8587
1090	MTS	0.8587
1091	C0H	0.8586
1092	TRU	0.8586
1093	6NT	0.8586
1094	XEN	0.8585
1095	SCT	0.8584
1096	TSS	0.8582
1097	K44	0.8581
1098	A8D	0.8580
1099	6MW	0.8580
1100	PQZ	0.8579
1101	A9K	0.8577
1102	PCQ	0.8575
1103	BPU	0.8575
1104	244	0.8574
1105	5FL	0.8572
1106	XHP	0.8572
1107	5NI	0.8572
1108	2ZM	0.8571
1109	6DP	0.8569
1110	55D	0.8568
1111	HKD	0.8562
1112	PPY	0.8562
1113	ISC	0.8560
1114	URI	0.8559
1115	SDN	0.8559
1116	MTI	0.8555
1117	U13	0.8555
1118	4NO	0.8550
1119	L46	0.8547
1120	NCV	0.8545
1121	NAR	0.8544
1122	2DL	0.8544
1123	5OF	0.8543
1124	7BX	0.8542
1125	RH1	0.8539
1126	JND	0.8537
1127	DX1	0.8537
1128	LVE	0.8537
1129	2AN	0.8536
1130	54Z	0.8533
1131	OTW	0.8531
1132	L5D	0.8531
1133	NBG	0.8528
1134	ASD	0.8522
1135	BBK	0.8522
1136	F18	0.8513
1137	BK9	0.8513
1138	IBM	0.8511
1139	6J3	0.8507

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

Pocket No.: 1; Query (leader) PDB : 4LWA; Ligand: Q13; 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: 4lwa.bio1) has 58 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 2; Query (leader) PDB : 4LWA; Ligand: Q13; 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: 4lwa.bio2) has 58 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 3; Query (leader) PDB : 4LWA; Ligand: Q13; 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: 4lwa.bio2) has 58 residues
No:	Leader PDB	Ligand	Sequence Similarity

APoc FAQ