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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
5ak3	2.28 Å	EC: 3.3.2.10	LIGAND COMPLEX STRUCTURE OF SOLUBLE EPOXIDE HYDROLASE	HOMO SAPIENS	HYDROLASE
Ref.:	SUCCESSFUL GENERATION OF STRUCTURAL INFORMATION FOR FRAGMENT-BASED DRUG DISCOVERY. DRUG DISCOV TODAY V. 20 1104 2015

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	Molecular Weight (Da)	Formula	SMILES
DMS	A:1551; A:1550; A:1552;	Invalid; Invalid; Invalid;	none; none; none;	submit data	78.133	C2 H6 O S	CS(=O...
XM0	A:1553;	Valid;	none;	ic50 = 8.49 uM	133.19	C9 H11 N	c1ccc...
SO4	A:1549; A:1548;	Invalid; Invalid;	none; none;	submit data	96.063	O4 S	[O-]S...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
5AM1	2.15 Å	EC: 3.3.2.10	LIGAND COMPLEX STRUCTURE OF SOLUBLE EPOXIDE HYDROLASE	HOMO SAPIENS	HYDROLASE
Ref.:	SUCCESSFUL GENERATION OF STRUCTURAL INFORMATION FOR FRAGMENT-BASED DRUG DISCOVERY. DRUG DISCOV TODAY V. 20 1104 2015

Members (71)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 4 families.
1	3WKA	ic50 = 29 uM	S0G	C10 H16 N4 O2	CN1C(=C(C(....
2	5ALW	ic50 = 7.05 uM	JQN	C17 H15 N O2 S	Cc1ccc(cc1....
3	5AIB	ic50 = 160 uM	KJU	C8 H6 Cl N O2	c1cc2c(cc1....
4	3WKD	ic50 = 171 uM	S0K	C15 H16 N2 O2 S	c1ccc(c(c1....
5	5ALP	ic50 < 0.086 uM	QYD	C17 H17 N3 O3 S	c1ccc(cc1)....
6	5AK5	ic50 = 0.086 uM	V2Z	C12 H13 N3 O	CCCC1=NC(=....
7	4Y2S	ic50 = 52 uM	49P	C10 H7 F3 N2 O	c1cc(cc(c1....
8	5ALJ	ic50 = 2.737 uM	T5J	C17 H15 F N2 O	Cc1ccc(cc1....
9	5ALO	ic50 = 0.738 uM	A0J	C20 H19 N3 O	C[C@]1(c2c....
10	5AM3	ic50 = 0.005 uM	AUB	C24 H32 N2 O4	c1cc(ccc1C....
11	4Y2P	ic50 = 2200 uM	3C5	C13 H14 N2	CNCc1cccc(....
12	3WK8	ic50 = 49 uM	S0E	C8 H5 F3 N2 S	c1cc2c(cc1....
13	5ALI	ic50 < 0.086 uM	Q3B	C27 H26 N8 O3 S	COc1ccc(cc....
14	5AK3	ic50 = 8.49 uM	XM0	C9 H11 N	c1ccc2c(c1....
15	5AKJ	ic50 < 1.37 uM	6N4	C9 H10 N2 O S	c1ccc2c(c1....
16	5AIC	ic50 = 49.6 uM	TGX	C9 H9 N O S	Cc1ccc2c(c....
17	5ALV	ic50 = 43.48 uM	6TZ	C9 H7 F N2	c1cc(cc(c1....
18	3WK9	ic50 = 70 uM	S0F	C10 H9 Br N2 S	c1cc(ccc1C....
19	5AKK	ic50 = 99.3 uM	1P8	C8 H6 Br N O	c1cc2c(cc1....
20	1VJ5	ic50 = 0.12 uM	CIU	C13 H17 I N2 O	c1cc(ccc1N....
21	4Y2Q	ic50 = 1200 uM	49N	C10 H12 F3 N3	c1cc(c(nc1....
22	5ALY	ic50 = 0.1845 uM	B7H	C15 H13 F N4 O	Cc1c(n[nH]....
23	5ALH	ic50 < 0.086 uM	4UA	C29 H35 N3 O4 S	Cc1ccc(cc1....
24	3I1Y	ic50 = 7 nM	33N	C21 H20 N2 O	c1ccc(cc1)....
25	5FP0	ic50 = 0.017 uM	SZC	C19 H18 F3 N3 O2 S	c1cc2c(c(c....
26	5AM5	ic50 = 1.82 uM	6NZ	C14 H21 N O	CCCC1=CC(=....
27	5ALX	ic50 = 3.277 uM	DUL	C13 H13 N O S2	CCSc1cccc(....
28	5AIA	ic50 = 6.268 uM	KWB	C13 H15 O3	c1cc(c(cc1....
29	5ALG	ic50 = 0.03 uM	R4N	C25 H21 Cl N2 O4 S	c1ccc2c(c1....
30	5AM2	ic50 = 9.685 uM	KUF	C10 H9 N O	Cc1ccc2c(c....
31	4Y2Y	ic50 = 9 uM	49Z	C14 H16 F N S	Cc1ccc(s1)....
32	5AKH	ic50 = 0.256 uM	6NM	C15 H10 F3 N3	c1cc(cc(c1....
33	5AKZ	ic50 = 5.49 uM	6NX	C8 H16 N2 O	CNC(=O)NC1....
34	5ALT	ic50 = 13.1 uM	9XZ	C11 H10 N6 S	Cn1nc(nn1)....
35	4Y2V	ic50 = 91 uM	4A5	C8 H9 Br N2 O2	c1c(c(nn1C....
36	5AI8	ic50 = 125.6 uM	K2T	C8 H8 N2 S	Cc1ccc2c(c....
37	5AI4	ic50 = 331.7 uM	4VY	C8 H11 Br N2 O	CN(CCO)c1c....
38	3I28	ic50 = 6 nM	34N	C24 H21 F N2 O3 S	CS(=O)(=O)....
39	5AKI	ic50 = 0.754 uM	6NF	C15 H20 N4	c1cnccc1c2....
40	5AK4	ic50 = 59.2 uM	GVG	C10 H10 N2	Cc1c(c[nH]....
41	5ALL	ic50 = 2.678 uM	II6	C9 H19 N O	C[C@@H]1C[....
42	3WK6	ic50 = 6.3 uM	S0B	C12 H16 N2 S	C[C@@H]1CN....
43	5AKX	-	8NY	C7 H5 I N2	c1cc2c(cc1....
44	5AI0	ic50 = 206.4 uM	JF6	C8 H7 N3 O	c1ccc(cc1)....
45	5ALN	ic50 = 0.267 uM	5ZM	C16 H14 F N O	CC1(c2cc(c....
46	5ALZ	ic50 = 0.006 uM	XQ9	C17 H29 N3 O3 S	CS(=O)(=O)....
47	5AKE	ic50 = 0.015 uM	6N0	C18 H16 F2 N2 O3 S	c1ccc2c(c1....
48	1ZD3	ic50 > 500 uM	NC4	C11 H20 N2 O3	C1CCC(CC1)....
49	5AI9	ic50 = 0.244 uM	K78	C20 H26 Br N O	CC(C)(C)c1....
50	5ALK	ic50 = 0.252 uM	WMR	C15 H22 N4 S	CCCCc1c2c(....
51	4Y2T	ic50 = 150 uM	49Q	C16 H18 O2	c1ccc(cc1)....
52	5ALE	ic50 = 1.132 uM	ONR	C9 H6 Cl N O2	c1cc(c(cc1....
53	5AM0	ic50 = 1.32 uM	LWS	C15 H15 F N2 O	CC1(c2cc(c....
54	5AM4	ic50 = 0.113 uM	MVJ	C18 H23 N O2	c1cc2c(cc1....
55	4Y2J	ic50 = 800 uM	49G	C13 H17 N3	Cn1ccc(n1)....
56	4Y2X	ic50 = 0.51 uM	4A0	C19 H27 N O	c1ccc(c(c1....
57	5AM1	ic50 = 0.003 uM	I5T	C23 H24 N2 O3	c1ccc(cc1)....
58	5AK6	ic50 = 326.4 uM	YPN	C7 H8 Cl N O S	c1cc(ncc1C....
59	5AI5	ic50 = 0.093 uM	BSU	C13 H12 N2 O	c1ccc(cc1)....
60	3WK4	ic50 = 7.4 uM	S0A	C12 H16 N2 O	C[C@H](C1C....
61	3WKC	ic50 = 195 uM	S0J	C14 H19 N3 O S	Cc1cc(c(n1....
62	5AKL	ic50 < 0.086 uM	6N8	C20 H20 N2 O	c1ccc(cc1)....
63	5ALD	ic50 = 1.08 uM	FCW	C14 H17 N O	c1cc2c(cc1....
64	5AKY	-	6NJ	C15 H14 N2	c1ccc(cc1)....
65	5ALU	ic50 = 0.022 uM	HD2	C24 H34 N4 O3	c1c(c(nc(n....
66	5ALF	ic50 = 0.204 uM	OE1	C19 H23 N3 O2 S	CCCN(CCC)S....
67	3WKB	ic50 = 61 uM	S0I	C15 H14 N2 O	c1ccc(cc1)....
68	4Y2R	-	49O	C10 H12 N4	c1cc(c(nc1....
69	3WK7	ic50 = 127 uM	S0D	C11 H10 N4	Cn1cc(cn1)....
70	5ALM	ic50 = 0.294 uM	7GM	C16 H23 N O S	C[C@]1(CCN....
71	5AI6	ic50 = 40.19 uM	4XH	C9 H6 Br N	c1cc2c(ccc....

70% Homology Family (71)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 4 families.
1	3WKA	ic50 = 29 uM	S0G	C10 H16 N4 O2	CN1C(=C(C(....
2	5ALW	ic50 = 7.05 uM	JQN	C17 H15 N O2 S	Cc1ccc(cc1....
3	5AIB	ic50 = 160 uM	KJU	C8 H6 Cl N O2	c1cc2c(cc1....
4	3WKD	ic50 = 171 uM	S0K	C15 H16 N2 O2 S	c1ccc(c(c1....
5	5ALP	ic50 < 0.086 uM	QYD	C17 H17 N3 O3 S	c1ccc(cc1)....
6	5AK5	ic50 = 0.086 uM	V2Z	C12 H13 N3 O	CCCC1=NC(=....
7	4Y2S	ic50 = 52 uM	49P	C10 H7 F3 N2 O	c1cc(cc(c1....
8	5ALJ	ic50 = 2.737 uM	T5J	C17 H15 F N2 O	Cc1ccc(cc1....
9	5ALO	ic50 = 0.738 uM	A0J	C20 H19 N3 O	C[C@]1(c2c....
10	5AM3	ic50 = 0.005 uM	AUB	C24 H32 N2 O4	c1cc(ccc1C....
11	4Y2P	ic50 = 2200 uM	3C5	C13 H14 N2	CNCc1cccc(....
12	3WK8	ic50 = 49 uM	S0E	C8 H5 F3 N2 S	c1cc2c(cc1....
13	5ALI	ic50 < 0.086 uM	Q3B	C27 H26 N8 O3 S	COc1ccc(cc....
14	5AK3	ic50 = 8.49 uM	XM0	C9 H11 N	c1ccc2c(c1....
15	5AKJ	ic50 < 1.37 uM	6N4	C9 H10 N2 O S	c1ccc2c(c1....
16	5AIC	ic50 = 49.6 uM	TGX	C9 H9 N O S	Cc1ccc2c(c....
17	5ALV	ic50 = 43.48 uM	6TZ	C9 H7 F N2	c1cc(cc(c1....
18	3WK9	ic50 = 70 uM	S0F	C10 H9 Br N2 S	c1cc(ccc1C....
19	5AKK	ic50 = 99.3 uM	1P8	C8 H6 Br N O	c1cc2c(cc1....
20	1VJ5	ic50 = 0.12 uM	CIU	C13 H17 I N2 O	c1cc(ccc1N....
21	4Y2Q	ic50 = 1200 uM	49N	C10 H12 F3 N3	c1cc(c(nc1....
22	5ALY	ic50 = 0.1845 uM	B7H	C15 H13 F N4 O	Cc1c(n[nH]....
23	5ALH	ic50 < 0.086 uM	4UA	C29 H35 N3 O4 S	Cc1ccc(cc1....
24	3I1Y	ic50 = 7 nM	33N	C21 H20 N2 O	c1ccc(cc1)....
25	5FP0	ic50 = 0.017 uM	SZC	C19 H18 F3 N3 O2 S	c1cc2c(c(c....
26	5AM5	ic50 = 1.82 uM	6NZ	C14 H21 N O	CCCC1=CC(=....
27	5ALX	ic50 = 3.277 uM	DUL	C13 H13 N O S2	CCSc1cccc(....
28	5AIA	ic50 = 6.268 uM	KWB	C13 H15 O3	c1cc(c(cc1....
29	5ALG	ic50 = 0.03 uM	R4N	C25 H21 Cl N2 O4 S	c1ccc2c(c1....
30	5AM2	ic50 = 9.685 uM	KUF	C10 H9 N O	Cc1ccc2c(c....
31	4Y2Y	ic50 = 9 uM	49Z	C14 H16 F N S	Cc1ccc(s1)....
32	5AKH	ic50 = 0.256 uM	6NM	C15 H10 F3 N3	c1cc(cc(c1....
33	5AKZ	ic50 = 5.49 uM	6NX	C8 H16 N2 O	CNC(=O)NC1....
34	5ALT	ic50 = 13.1 uM	9XZ	C11 H10 N6 S	Cn1nc(nn1)....
35	4Y2V	ic50 = 91 uM	4A5	C8 H9 Br N2 O2	c1c(c(nn1C....
36	5AI8	ic50 = 125.6 uM	K2T	C8 H8 N2 S	Cc1ccc2c(c....
37	5AI4	ic50 = 331.7 uM	4VY	C8 H11 Br N2 O	CN(CCO)c1c....
38	3I28	ic50 = 6 nM	34N	C24 H21 F N2 O3 S	CS(=O)(=O)....
39	5AKI	ic50 = 0.754 uM	6NF	C15 H20 N4	c1cnccc1c2....
40	5AK4	ic50 = 59.2 uM	GVG	C10 H10 N2	Cc1c(c[nH]....
41	5ALL	ic50 = 2.678 uM	II6	C9 H19 N O	C[C@@H]1C[....
42	3WK6	ic50 = 6.3 uM	S0B	C12 H16 N2 S	C[C@@H]1CN....
43	5AKX	-	8NY	C7 H5 I N2	c1cc2c(cc1....
44	5AI0	ic50 = 206.4 uM	JF6	C8 H7 N3 O	c1ccc(cc1)....
45	5ALN	ic50 = 0.267 uM	5ZM	C16 H14 F N O	CC1(c2cc(c....
46	5ALZ	ic50 = 0.006 uM	XQ9	C17 H29 N3 O3 S	CS(=O)(=O)....
47	5AKE	ic50 = 0.015 uM	6N0	C18 H16 F2 N2 O3 S	c1ccc2c(c1....
48	1ZD3	ic50 > 500 uM	NC4	C11 H20 N2 O3	C1CCC(CC1)....
49	5AI9	ic50 = 0.244 uM	K78	C20 H26 Br N O	CC(C)(C)c1....
50	5ALK	ic50 = 0.252 uM	WMR	C15 H22 N4 S	CCCCc1c2c(....
51	4Y2T	ic50 = 150 uM	49Q	C16 H18 O2	c1ccc(cc1)....
52	5ALE	ic50 = 1.132 uM	ONR	C9 H6 Cl N O2	c1cc(c(cc1....
53	5AM0	ic50 = 1.32 uM	LWS	C15 H15 F N2 O	CC1(c2cc(c....
54	5AM4	ic50 = 0.113 uM	MVJ	C18 H23 N O2	c1cc2c(cc1....
55	4Y2J	ic50 = 800 uM	49G	C13 H17 N3	Cn1ccc(n1)....
56	4Y2X	ic50 = 0.51 uM	4A0	C19 H27 N O	c1ccc(c(c1....
57	5AM1	ic50 = 0.003 uM	I5T	C23 H24 N2 O3	c1ccc(cc1)....
58	5AK6	ic50 = 326.4 uM	YPN	C7 H8 Cl N O S	c1cc(ncc1C....
59	5AI5	ic50 = 0.093 uM	BSU	C13 H12 N2 O	c1ccc(cc1)....
60	3WK4	ic50 = 7.4 uM	S0A	C12 H16 N2 O	C[C@H](C1C....
61	3WKC	ic50 = 195 uM	S0J	C14 H19 N3 O S	Cc1cc(c(n1....
62	5AKL	ic50 < 0.086 uM	6N8	C20 H20 N2 O	c1ccc(cc1)....
63	5ALD	ic50 = 1.08 uM	FCW	C14 H17 N O	c1cc2c(cc1....
64	5AKY	-	6NJ	C15 H14 N2	c1ccc(cc1)....
65	5ALU	ic50 = 0.022 uM	HD2	C24 H34 N4 O3	c1c(c(nc(n....
66	5ALF	ic50 = 0.204 uM	OE1	C19 H23 N3 O2 S	CCCN(CCC)S....
67	3WKB	ic50 = 61 uM	S0I	C15 H14 N2 O	c1ccc(cc1)....
68	4Y2R	-	49O	C10 H12 N4	c1cc(c(nc1....
69	3WK7	ic50 = 127 uM	S0D	C11 H10 N4	Cn1cc(cn1)....
70	5ALM	ic50 = 0.294 uM	7GM	C16 H23 N O S	C[C@]1(CCN....
71	5AI6	ic50 = 40.19 uM	4XH	C9 H6 Br N	c1cc2c(ccc....

50% Homology Family (88)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 2 families.
1	3WKA	ic50 = 29 uM	S0G	C10 H16 N4 O2	CN1C(=C(C(....
2	5ALW	ic50 = 7.05 uM	JQN	C17 H15 N O2 S	Cc1ccc(cc1....
3	5AIB	ic50 = 160 uM	KJU	C8 H6 Cl N O2	c1cc2c(cc1....
4	3WKD	ic50 = 171 uM	S0K	C15 H16 N2 O2 S	c1ccc(c(c1....
5	5ALP	ic50 < 0.086 uM	QYD	C17 H17 N3 O3 S	c1ccc(cc1)....
6	5AK5	ic50 = 0.086 uM	V2Z	C12 H13 N3 O	CCCC1=NC(=....
7	4Y2S	ic50 = 52 uM	49P	C10 H7 F3 N2 O	c1cc(cc(c1....
8	5ALJ	ic50 = 2.737 uM	T5J	C17 H15 F N2 O	Cc1ccc(cc1....
9	5ALO	ic50 = 0.738 uM	A0J	C20 H19 N3 O	C[C@]1(c2c....
10	5AM3	ic50 = 0.005 uM	AUB	C24 H32 N2 O4	c1cc(ccc1C....
11	4Y2P	ic50 = 2200 uM	3C5	C13 H14 N2	CNCc1cccc(....
12	3WK8	ic50 = 49 uM	S0E	C8 H5 F3 N2 S	c1cc2c(cc1....
13	5ALI	ic50 < 0.086 uM	Q3B	C27 H26 N8 O3 S	COc1ccc(cc....
14	5AK3	ic50 = 8.49 uM	XM0	C9 H11 N	c1ccc2c(c1....
15	5AKJ	ic50 < 1.37 uM	6N4	C9 H10 N2 O S	c1ccc2c(c1....
16	5AIC	ic50 = 49.6 uM	TGX	C9 H9 N O S	Cc1ccc2c(c....
17	5ALV	ic50 = 43.48 uM	6TZ	C9 H7 F N2	c1cc(cc(c1....
18	3WK9	ic50 = 70 uM	S0F	C10 H9 Br N2 S	c1cc(ccc1C....
19	5AKK	ic50 = 99.3 uM	1P8	C8 H6 Br N O	c1cc2c(cc1....
20	1VJ5	ic50 = 0.12 uM	CIU	C13 H17 I N2 O	c1cc(ccc1N....
21	4Y2Q	ic50 = 1200 uM	49N	C10 H12 F3 N3	c1cc(c(nc1....
22	5ALY	ic50 = 0.1845 uM	B7H	C15 H13 F N4 O	Cc1c(n[nH]....
23	5ALH	ic50 < 0.086 uM	4UA	C29 H35 N3 O4 S	Cc1ccc(cc1....
24	3I1Y	ic50 = 7 nM	33N	C21 H20 N2 O	c1ccc(cc1)....
25	5FP0	ic50 = 0.017 uM	SZC	C19 H18 F3 N3 O2 S	c1cc2c(c(c....
26	5AM5	ic50 = 1.82 uM	6NZ	C14 H21 N O	CCCC1=CC(=....
27	5ALX	ic50 = 3.277 uM	DUL	C13 H13 N O S2	CCSc1cccc(....
28	5AIA	ic50 = 6.268 uM	KWB	C13 H15 O3	c1cc(c(cc1....
29	5ALG	ic50 = 0.03 uM	R4N	C25 H21 Cl N2 O4 S	c1ccc2c(c1....
30	5AM2	ic50 = 9.685 uM	KUF	C10 H9 N O	Cc1ccc2c(c....
31	4Y2Y	ic50 = 9 uM	49Z	C14 H16 F N S	Cc1ccc(s1)....
32	5AKH	ic50 = 0.256 uM	6NM	C15 H10 F3 N3	c1cc(cc(c1....
33	5AKZ	ic50 = 5.49 uM	6NX	C8 H16 N2 O	CNC(=O)NC1....
34	5ALT	ic50 = 13.1 uM	9XZ	C11 H10 N6 S	Cn1nc(nn1)....
35	4Y2V	ic50 = 91 uM	4A5	C8 H9 Br N2 O2	c1c(c(nn1C....
36	5AI8	ic50 = 125.6 uM	K2T	C8 H8 N2 S	Cc1ccc2c(c....
37	5AI4	ic50 = 331.7 uM	4VY	C8 H11 Br N2 O	CN(CCO)c1c....
38	3I28	ic50 = 6 nM	34N	C24 H21 F N2 O3 S	CS(=O)(=O)....
39	5AKI	ic50 = 0.754 uM	6NF	C15 H20 N4	c1cnccc1c2....
40	5AK4	ic50 = 59.2 uM	GVG	C10 H10 N2	Cc1c(c[nH]....
41	5ALL	ic50 = 2.678 uM	II6	C9 H19 N O	C[C@@H]1C[....
42	3WK6	ic50 = 6.3 uM	S0B	C12 H16 N2 S	C[C@@H]1CN....
43	5AKX	-	8NY	C7 H5 I N2	c1cc2c(cc1....
44	5AI0	ic50 = 206.4 uM	JF6	C8 H7 N3 O	c1ccc(cc1)....
45	5ALN	ic50 = 0.267 uM	5ZM	C16 H14 F N O	CC1(c2cc(c....
46	5ALZ	ic50 = 0.006 uM	XQ9	C17 H29 N3 O3 S	CS(=O)(=O)....
47	5AKE	ic50 = 0.015 uM	6N0	C18 H16 F2 N2 O3 S	c1ccc2c(c1....
48	1ZD3	ic50 > 500 uM	NC4	C11 H20 N2 O3	C1CCC(CC1)....
49	5AI9	ic50 = 0.244 uM	K78	C20 H26 Br N O	CC(C)(C)c1....
50	5ALK	ic50 = 0.252 uM	WMR	C15 H22 N4 S	CCCCc1c2c(....
51	4Y2T	ic50 = 150 uM	49Q	C16 H18 O2	c1ccc(cc1)....
52	5ALE	ic50 = 1.132 uM	ONR	C9 H6 Cl N O2	c1cc(c(cc1....
53	5AM0	ic50 = 1.32 uM	LWS	C15 H15 F N2 O	CC1(c2cc(c....
54	5AM4	ic50 = 0.113 uM	MVJ	C18 H23 N O2	c1cc2c(cc1....
55	4Y2J	ic50 = 800 uM	49G	C13 H17 N3	Cn1ccc(n1)....
56	4Y2X	ic50 = 0.51 uM	4A0	C19 H27 N O	c1ccc(c(c1....
57	5AM1	ic50 = 0.003 uM	I5T	C23 H24 N2 O3	c1ccc(cc1)....
58	5AK6	ic50 = 326.4 uM	YPN	C7 H8 Cl N O S	c1cc(ncc1C....
59	5AI5	ic50 = 0.093 uM	BSU	C13 H12 N2 O	c1ccc(cc1)....
60	3WK4	ic50 = 7.4 uM	S0A	C12 H16 N2 O	C[C@H](C1C....
61	3WKC	ic50 = 195 uM	S0J	C14 H19 N3 O S	Cc1cc(c(n1....
62	5AKL	ic50 < 0.086 uM	6N8	C20 H20 N2 O	c1ccc(cc1)....
63	5ALD	ic50 = 1.08 uM	FCW	C14 H17 N O	c1cc2c(cc1....
64	5AKY	-	6NJ	C15 H14 N2	c1ccc(cc1)....
65	5ALU	ic50 = 0.022 uM	HD2	C24 H34 N4 O3	c1c(c(nc(n....
66	5ALF	ic50 = 0.204 uM	OE1	C19 H23 N3 O2 S	CCCN(CCC)S....
67	3WKB	ic50 = 61 uM	S0I	C15 H14 N2 O	c1ccc(cc1)....
68	4Y2R	-	49O	C10 H12 N4	c1cc(c(nc1....
69	3WK7	ic50 = 127 uM	S0D	C11 H10 N4	Cn1cc(cn1)....
70	5ALM	ic50 = 0.294 uM	7GM	C16 H23 N O S	C[C@]1(CCN....
71	5AI6	ic50 = 40.19 uM	4XH	C9 H6 Br N	c1cc2c(ccc....
72	3ANT	ic50 = 8.5 nM	S82	C20 H26 N4 O2	CC(C)c1nc(....
73	6YL4	ic50 = 0.007 uM	OWW	C28 H26 F3 N3 O4	C[C@H](C#C....
74	4JNC	ic50 = 3 nM	1LF	C19 H23 F3 N6 O	Cc1nc(nc(n....
75	6I5G	Ki = 8.56 uM	PTG	C20 H28 O3	CCCCCC=CC=....
76	6FR2	ic50 = 4.99 nM	E3N	C21 H30 F3 N3 O5 S	CC(C)S(=O)....
77	4X6X	ic50 = 2.3 nM	S74	C30 H32 N2 O4	c1ccc(cc1)....
78	4X6Y	-	S94	C21 H24 N2 O2	c1ccc(cc1)....
79	3ANS	ic50 = 565 nM	S38	C17 H14 N2 O	c1ccc(cc1)....
80	6HGV	ic50 = 2.8 uM	G3Q	C20 H33 N3 O3	CC(C)(C)NC....
81	6HGX	ic50 = 0.077 uM	G3T	C22 H35 N3 O3	CC(C)(C)N1....
82	4O08	-	PO6	C8 H9 N O2	c1ccc(cc1)....
83	2CJP	Ki = 0.8 mM	VPR	C8 H17 N O	CCCC(CCC)C....
84	6N3K	ic50 = 29 nM	K9V	C23 H28 F2 N2 O2	c1ccc(cc1)....
85	6N3Z	ic50 = 259.3 nM	KC4	C22 H24 F3 N3 O4	CNC(=O)c1c....
86	6N5H	ic50 = 357.9 nM	AUB	C24 H32 N2 O4	c1cc(ccc1C....
87	6N5F	ic50 = 138.8 nM	KJ1	C17 H34 N2 O2	CCCCCCCCC(....
88	5NG7	-	SER	C3 H7 N O3	C([C@@H](C....

Polypharmacology

Similar Ligands (2D)

Ligand no: 1; Ligand: XM0; Similar ligands found: 1

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	XM0	1	1

Similar Ligands (3D)

Ligand no: 1; Ligand: XM0; Similar ligands found: 1281

No:	Ligand	Similarity coefficient
1	AX7	0.9924
2	270	0.9913
3	ABV	0.9885
4	2MI	0.9863
5	P92	0.9801
6	NPY	0.9784
7	QUZ	0.9774
8	03V	0.9769
9	2CK	0.9742
10	COU	0.9725
11	4FS	0.9709
12	ES5	0.9709
13	2AQ	0.9708
14	JB5	0.9705
15	OCH	0.9703
16	IDM	0.9699
17	IND	0.9688
18	JAE	0.9682
19	PAC	0.9668
20	BZI	0.9666
21	5WV	0.9660
22	LZ1	0.9643
23	NIZ	0.9639
24	MPI	0.9633
25	TH7	0.9629
26	XIY	0.9623
27	0R1	0.9620
28	ES7	0.9610
29	ISN	0.9609
30	3ID	0.9607
31	BEZ	0.9605
32	DEN	0.9604
33	1P8	0.9603
34	NPO	0.9603
35	BZX	0.9602
36	14O	0.9602
37	BEN	0.9597
38	H42	0.9596
39	F60	0.9595
40	NBZ	0.9595
41	5H1	0.9594
42	2BG	0.9591
43	717	0.9591
44	BZF	0.9590
45	PHB	0.9589
46	4JP	0.9586
47	NCA	0.9585
48	ET2	0.9584
49	NIO	0.9582
50	BE7	0.9576
51	PAB	0.9575
52	2K4	0.9573
53	BAM	0.9573
54	5MI	0.9570
55	1PT	0.9569
56	DMD	0.9567
57	FBB	0.9566
58	BHO	0.9566
59	1Y6	0.9560
60	GVH	0.9559
61	6PC	0.9558
62	Q88	0.9552
63	173	0.9551
64	7W4	0.9549
65	UNU	0.9548
66	FAN	0.9548
67	CWM	0.9546
68	PBC	0.9543
69	KOJ	0.9542
70	ISZ	0.9540
71	NTN	0.9540
72	ES0	0.9539
73	JZ9	0.9537
74	YCP	0.9536
75	0CT	0.9536
76	HBD	0.9535
77	826	0.9535
78	FYU	0.9534
79	6AI	0.9532
80	KKN	0.9531
81	AC0	0.9529
82	VGL	0.9529
83	K2T	0.9527
84	5SG	0.9523
85	1M2	0.9523
86	4MA	0.9522
87	PBZ	0.9521
88	6M9	0.9521
89	5MB	0.9520
90	PZA	0.9519
91	F9P	0.9519
92	4YS	0.9516
93	PEL	0.9513
94	FA0	0.9511
95	ES2	0.9511
96	5IQ	0.9510
97	11S	0.9508
98	DOB	0.9507
99	CXF	0.9504
100	1SQ	0.9503
101	BHA	0.9503
102	HQY	0.9497
103	K34	0.9496
104	N5J	0.9495
105	1DJ	0.9495
106	5NU	0.9493
107	1DW	0.9493
108	SAL	0.9492
109	2D0	0.9491
110	67N	0.9489
111	PHU	0.9487
112	PMB	0.9487
113	XQ0	0.9486
114	5Q0	0.9485
115	4M0	0.9483
116	NK	0.9482
117	MNN	0.9481
118	JPZ	0.9479
119	FBM	0.9477
120	F05	0.9477
121	271	0.9477
122	SPA	0.9476
123	ES1	0.9475
124	KJH	0.9474
125	HY1	0.9471
126	FK1	0.9470
127	12Q	0.9470
128	1LQ	0.9469
129	24W	0.9469
130	BE2	0.9468
131	ES9	0.9465
132	CFI	0.9465
133	FB2	0.9464
134	MR1	0.9462
135	M4T	0.9459
136	I1E	0.9458
137	A7W	0.9458
138	LCN	0.9455
139	HMH	0.9450
140	174	0.9449
141	H4N	0.9449
142	DIN	0.9448
143	BSX	0.9447
144	RSO	0.9446
145	3U4	0.9445
146	36R	0.9443
147	9EW	0.9443
148	CLW	0.9443
149	5QX	0.9442
150	TH0	0.9441
151	IFM	0.9440
152	VGD	0.9437
153	FBA	0.9437
154	P72	0.9435
155	54D	0.9434
156	RMN	0.9434
157	5CU	0.9433
158	HLR	0.9432
159	SWA	0.9431
160	M1A	0.9431
161	JZ7	0.9430
162	JBE	0.9429
163	0RW	0.9429
164	SHA	0.9427
165	4P5	0.9427
166	PBA	0.9426
167	GLL	0.9426
168	7W1	0.9425
169	PYJ	0.9423
170	AC6	0.9422
171	HPA	0.9421
172	HBA	0.9419
173	5VM	0.9419
174	OK7	0.9418
175	SS2	0.9418
176	258	0.9417
177	OAA	0.9417
178	M58	0.9413
179	9RW	0.9412
180	R8V	0.9406
181	4SV	0.9406
182	NOJ	0.9405
183	SYN	0.9405
184	BZ3	0.9402
185	5OB	0.9402
186	5XC	0.9402
187	Z82	0.9402
188	O72	0.9401
189	PZI	0.9401
190	1NP	0.9400
191	HSO	0.9400
192	ABN	0.9400
193	B24	0.9400
194	SVN	0.9398
195	IFL	0.9398
196	6M4	0.9398
197	NDH	0.9395
198	6RQ	0.9395
199	4JT	0.9394
200	MRW	0.9394
201	QSC	0.9394
202	JKE	0.9392
203	CTL	0.9391
204	SW7	0.9388
205	XX2	0.9387
206	4NC	0.9387
207	PEA	0.9387
208	INO	0.9386
209	HMU	0.9385
210	HIO	0.9384
211	8ZE	0.9382
212	MXN	0.9380
213	RSF	0.9378
214	GAB	0.9377
215	ES6	0.9376
216	0P6	0.9375
217	24B	0.9373
218	BCU	0.9373
219	ADE	0.9373
220	IFP	0.9367
221	92K	0.9367
222	1MC	0.9367
223	1DQ	0.9367
224	JBH	0.9366
225	TTL	0.9366
226	SE2	0.9364
227	MYJ	0.9363
228	HQT	0.9362
229	5HN	0.9361
230	EA1	0.9360
231	QY9	0.9359
232	268	0.9359
233	URF	0.9358
234	2HO	0.9357
235	SMN	0.9357
236	SRT	0.9356
237	FHB	0.9355
238	4VP	0.9354
239	GJZ	0.9354
240	SYV	0.9353
241	G3E	0.9352
242	CWS	0.9350
243	NNO	0.9349
244	QMP	0.9349
245	FCR	0.9349
246	APY	0.9349
247	8CM	0.9348
248	JZ3	0.9348
249	DHB	0.9347
250	4JL	0.9347
251	86J	0.9347
252	3PF	0.9345
253	FEH	0.9343
254	D48	0.9343
255	SS1	0.9343
256	7HP	0.9343
257	7WV	0.9342
258	3NT	0.9341
259	3HB	0.9339
260	1LM	0.9339
261	GLC	0.9339
262	PYF	0.9338
263	2LP	0.9337
264	4A3	0.9336
265	J5I	0.9336
266	KUF	0.9335
267	QWN	0.9335
268	NOY	0.9335
269	8H8	0.9333
270	3HM	0.9333
271	FBV	0.9333
272	HBX	0.9332
273	1MR	0.9332
274	H8N	0.9331
275	1WD	0.9331
276	93K	0.9329
277	3HA	0.9329
278	C2B	0.9328
279	XBZ	0.9327
280	8NY	0.9327
281	OVV	0.9327
282	4JQ	0.9327
283	TDR	0.9326
284	WBU	0.9326
285	R8A	0.9326
286	275	0.9324
287	1P7	0.9324
288	J1Z	0.9323
289	3AB	0.9322
290	JLZ	0.9322
291	TSU	0.9319
292	3OC	0.9318
293	G2F	0.9317
294	4ZE	0.9314
295	MQN	0.9314
296	2PC	0.9313
297	1LN	0.9311
298	3SK	0.9311
299	FBS	0.9310
300	4RW	0.9310
301	7HQ	0.9308
302	5UC	0.9308
303	DBH	0.9307
304	MWM	0.9306
305	10L	0.9304
306	ROR	0.9304
307	VNJ	0.9304
308	9CL	0.9304
309	3M0	0.9303
310	AMH	0.9302
311	2MP	0.9301
312	NSP	0.9301
313	34A	0.9300
314	AHR	0.9300
315	3F0	0.9299
316	4HO	0.9299
317	UY7	0.9298
318	AMC	0.9298
319	MCT	0.9297
320	JA8	0.9295
321	HYP	0.9294
322	2AC	0.9293
323	NMJ	0.9293
324	RNT	0.9291
325	51R	0.9290
326	R9M	0.9289
327	XYP	0.9289
328	UGC	0.9288
329	XYD	0.9286
330	NBE	0.9285
331	FE DB1	0.9285
332	C21	0.9285
333	ASO	0.9284
334	PLQ	0.9284
335	282	0.9284
336	23A	0.9282
337	82I	0.9282
338	I3A	0.9281
339	BNS	0.9281
340	PZM	0.9280
341	HX3	0.9279
342	265	0.9278
343	5MH	0.9276
344	4J8	0.9275
345	3DO	0.9275
346	FB1	0.9275
347	KJU	0.9275
348	QXW	0.9274
349	5GU	0.9274
350	ICP	0.9271
351	PYD	0.9271
352	ZZT	0.9270
353	P9P	0.9269
354	7WG	0.9269
355	1DV	0.9269
356	BNF	0.9268
357	DFB	0.9268
358	4WL	0.9267
359	BP1	0.9265
360	2HQ	0.9265
361	SAN	0.9263
362	43M	0.9263
363	RNS	0.9261
364	5QY	0.9261
365	7A8	0.9260
366	L3Q	0.9259
367	FP1	0.9257
368	8OZ	0.9256
369	PY7	0.9255
370	GTQ	0.9255
371	JND	0.9254
372	IF7	0.9253
373	MLT	0.9253
374	JZ5	0.9252
375	LT2	0.9249
376	6FZ	0.9248
377	8GC	0.9247
378	URC	0.9247
379	HHA	0.9247
380	MAE	0.9247
381	4YO	0.9245
382	TP5	0.9244
383	PYC	0.9244
384	7N0	0.9243
385	64K	0.9243
386	4CL	0.9241
387	4ZA	0.9240
388	7WA	0.9240
389	A1U	0.9239
390	5B1	0.9239
391	QOS	0.9239
392	JZ2	0.9238
393	9TW	0.9238
394	LMR	0.9237
395	EKZ	0.9237
396	97T	0.9237
397	261	0.9237
398	4XH	0.9237
399	YRL	0.9236
400	PRO	0.9236
401	0TU	0.9235
402	5RN	0.9235
403	LYL	0.9234
404	53C	0.9233
405	FBJ	0.9233
406	CHB	0.9232
407	DYA	0.9232
408	X0V	0.9230
409	0TR	0.9230
410	4JJ	0.9229
411	FPI	0.9228
412	JZ1	0.9225
413	FPN	0.9224
414	2YU	0.9224
415	XYL	0.9223
416	RB5	0.9223
417	9DA	0.9221
418	HH8	0.9221
419	ICB	0.9221
420	N2I	0.9220
421	J9T	0.9220
422	BTE	0.9220
423	IPB	0.9219
424	4FA	0.9219
425	B57	0.9218
426	0R0	0.9217
427	CEE	0.9216
428	LXC	0.9216
429	HQE	0.9215
430	PNZ	0.9213
431	PCA	0.9213
432	IP0	0.9213
433	DGJ	0.9212
434	SKA	0.9212
435	UYA	0.9212
436	F9Y	0.9212
437	AZF	0.9209
438	8WT	0.9208
439	4JM	0.9207
440	EHM	0.9207
441	TLA	0.9207
442	NYL	0.9205
443	4CS	0.9204
444	6MP	0.9204
445	2XX	0.9203
446	ILE	0.9202
447	XYS	0.9202
448	XBT	0.9201
449	3BZ	0.9201
450	TPA	0.9201
451	AMS	0.9201
452	ADZ	0.9201
453	AAS	0.9201
454	5RG	0.9200
455	98J	0.9199
456	PCR	0.9198
457	AEF	0.9197
458	LDP	0.9196
459	RM1	0.9196
460	4SX	0.9196
461	HSM	0.9196
462	OXZ	0.9195
463	9HX	0.9194
464	MRZ	0.9194
465	RBJ	0.9194
466	TM7	0.9193
467	JBN	0.9191
468	TFB	0.9191
469	OTR	0.9190
470	E7Z	0.9190
471	WCE	0.9188
472	DE5	0.9187
473	GBD	0.9187
474	4XR	0.9186
475	IV2	0.9185
476	KT7	0.9184
477	BEA	0.9184
478	1AB	0.9184
479	HDH	0.9183
480	TAR	0.9182
481	0HO	0.9182
482	9DG	0.9182
483	MS9	0.9181
484	BPN	0.9181
485	FOA	0.9181
486	DA1	0.9180
487	TZL	0.9179
488	FQI	0.9179
489	ZBT	0.9179
490	HH5	0.9179
491	2A9	0.9178
492	JZ4	0.9177
493	54G	0.9176
494	TIU	0.9176
495	HIS	0.9174
496	60P	0.9173
497	PXY	0.9173
498	3Z8	0.9173
499	ARB	0.9173
500	E5X	0.9172
501	RIP	0.9172
502	A09	0.9171
503	27Y	0.9170
504	4FH	0.9170
505	LG4	0.9169
506	GRE	0.9168
507	5M0	0.9166
508	MWJ	0.9164
509	HPS	0.9164
510	1DU	0.9164
511	ARA	0.9164
512	DMJ	0.9163
513	BRT	0.9162
514	SJ5	0.9162
515	4AA	0.9161
516	BML	0.9161
517	J9Q	0.9161
518	OXQ	0.9161
519	BTY	0.9160
520	4JO	0.9159
521	TZE	0.9158
522	4NM	0.9157
523	LNR	0.9157
524	URP	0.9157
525	GAG	0.9157
526	G3P	0.9156
527	G3H	0.9156
528	069	0.9156
529	FBW	0.9156
530	4HM	0.9155
531	SKG	0.9155
532	TZC	0.9155
533	RHU	0.9155
534	BP9	0.9155
535	APG	0.9154
536	K5W	0.9153
537	XAN	0.9153
538	9R5	0.9152
539	ICO	0.9149
540	IUR	0.9149
541	1WG	0.9149
542	MNM	0.9149
543	PXL	0.9148
544	BR9	0.9148
545	2EC	0.9146
546	SD4	0.9146
547	5JC	0.9145
548	HT4	0.9145
549	AFR	0.9144
550	Q24	0.9144
551	XCZ	0.9143
552	AZA	0.9142
553	M1Q	0.9142
554	7B4	0.9142
555	EDR	0.9142
556	4CH	0.9141
557	7MU	0.9141
558	75K	0.9140
559	1P3	0.9140
560	DHR	0.9139
561	6LW	0.9137
562	2CQ	0.9137
563	25R	0.9134
564	MUC	0.9133
565	0MK	0.9133
566	SMV	0.9132
567	8EZ	0.9131
568	6F0	0.9131
569	PIY	0.9131
570	ASN	0.9129
571	HZP	0.9129
572	IT2	0.9129
573	0HN	0.9125
574	BGC	0.9125
575	GAL	0.9124
576	BMA	0.9124
577	P3K	0.9123
578	ASC	0.9119
579	G4D	0.9118
580	FBT	0.9118
581	3FH	0.9117
582	THE	0.9116
583	B55	0.9115
584	XAZ	0.9115
585	GUN	0.9115
586	URQ	0.9114
587	JAB	0.9112
588	0FN	0.9112
589	6ME	0.9112
590	TGX	0.9110
591	45L	0.9110
592	WOT	0.9110
593	TEO	0.9110
594	51F	0.9110
595	AKG	0.9109
596	JBQ	0.9109
597	2FY	0.9108
598	AZ8	0.9108
599	CFP	0.9106
600	SWD	0.9106
601	ODO	0.9106
602	2ZV	0.9105
603	8TX	0.9105
604	6M1	0.9105
605	TLD	0.9104
606	FUM	0.9103
607	SIN	0.9103
608	NF3	0.9103
609	2ZM	0.9102
610	M6N	0.9102
611	23J	0.9101
612	FA1	0.9101
613	MAN	0.9101
614	PRS	0.9098
615	BZ2	0.9098
616	EDG	0.9098
617	A2F	0.9097
618	JBK	0.9097
619	M5K	0.9097
620	150	0.9096
621	PE0	0.9095
622	DBX	0.9095
623	2HU	0.9094
624	3WA	0.9094
625	HY3	0.9094
626	9FL	0.9093
627	SEP	0.9093
628	40E	0.9093
629	6NT	0.9090
630	AJ2	0.9089
631	GLN	0.9088
632	J6W	0.9088
633	286	0.9087
634	4HC	0.9087
635	5AC	0.9087
636	C2A	0.9087
637	F81	0.9087
638	DEE	0.9086
639	XRG	0.9086
640	264	0.9085
641	PRY	0.9085
642	9TZ	0.9085
643	2FT	0.9084
644	AZ9	0.9083
645	XUL	0.9083
646	HYA	0.9082
647	DHS	0.9082
648	RIB	0.9082
649	3A9	0.9080
650	KDV	0.9080
651	HQJ	0.9079
652	PIM	0.9078
653	6AP	0.9078
654	L99	0.9078
655	EQT	0.9078
656	J9W	0.9078
657	QSB	0.9078
658	ANN	0.9077
659	8IG	0.9076
660	DPR	0.9076
661	IGA	0.9075
662	CRN	0.9075
663	A29	0.9074
664	RAT	0.9073
665	AQO	0.9073
666	1F1	0.9073
667	3SL	0.9073
668	KMT	0.9072
669	B53	0.9072
670	4HS	0.9072
671	14J	0.9071
672	SOE	0.9068
673	5NI	0.9068
674	KTA	0.9068
675	KBG	0.9068
676	ZXD	0.9066
677	141	0.9065
678	3XX	0.9065
679	273	0.9065
680	HQD	0.9064
681	259	0.9064
682	5MK	0.9064
683	M2K	0.9063
684	MEW	0.9063
685	9X7	0.9060
686	M3H	0.9059
687	GLY ALA	0.9058
688	ABI	0.9057
689	HDA	0.9057
690	MZW	0.9055
691	4Z4	0.9055
692	JAW	0.9054
693	6NI	0.9054
694	4XV	0.9053
695	FPY	0.9053
696	R2B	0.9053
697	IHB	0.9052
698	0LH	0.9051
699	FUL	0.9051
700	6GU	0.9050
701	GDE	0.9049
702	OHP	0.9049
703	EYK	0.9048
704	9CA	0.9048
705	PAF	0.9047
706	GRO	0.9046
707	ES4	0.9046
708	NK2	0.9045
709	PM6	0.9045
710	3DM	0.9044
711	FDB	0.9044
712	SX1	0.9044
713	KPL	0.9043
714	4JN	0.9043
715	COI	0.9042
716	UEG	0.9042
717	2MH	0.9042
718	R9Y	0.9040
719	69O	0.9040
720	EUG	0.9039
721	MET	0.9038
722	TSS	0.9038
723	2DR	0.9037
724	G5V	0.9037
725	0OC	0.9037
726	4JU	0.9035
727	TYL	0.9034
728	5JQ	0.9034
729	AGK	0.9034
730	R9S	0.9034
731	FUC	0.9033
732	32X	0.9032
733	URS	0.9032
734	AZG	0.9031
735	42A	0.9031
736	1XN	0.9028
737	PA1	0.9028
738	CXP	0.9027
739	7CZ	0.9027
740	N8Y	0.9026
741	ORO	0.9025
742	SYC	0.9025
743	15E	0.9025
744	ASP	0.9024
745	Z6J	0.9024
746	290	0.9024
747	0W8	0.9024
748	OXC	0.9023
749	42J	0.9022
750	HC4	0.9022
751	MED	0.9020
752	DIE	0.9020
753	R8S	0.9019
754	B62	0.9018
755	2HG	0.9017
756	6CS	0.9016
757	ECE	0.9016
758	APZ	0.9015
759	YH7	0.9013
760	1IT	0.9012
761	52C	0.9011
762	DHQ	0.9011
763	BDP	0.9011
764	T2C	0.9011
765	KJY	0.9009
766	PKU	0.9006
767	XLS	0.9005
768	KBB	0.9005
769	LZM	0.9005
770	GIF	0.9005
771	94W	0.9005
772	3RK	0.9004
773	AL0	0.9003
774	CN0	0.9003
775	MT0	0.9001
776	JIF	0.9000
777	DFU	0.9000
778	4XS	0.9000
779	4M4	0.8999
780	7NI	0.8999
781	2AS	0.8999
782	URA	0.8999
783	SKM	0.8998
784	A13	0.8998
785	2CO	0.8997
786	44V	0.8996
787	1XM	0.8996
788	5RO	0.8996
789	IDH	0.8996
790	OHG	0.8995
791	PO6	0.8994
792	0N7	0.8994
793	B85	0.8994
794	3NY	0.8994
795	SEJ	0.8994
796	MUA	0.8993
797	2RH	0.8993
798	JB8	0.8993
799	JDN	0.8992
800	DOR	0.8991
801	5JL	0.8989
802	GXY	0.8989
803	3IT	0.8986
804	E7S	0.8986
805	45C	0.8985
806	3V4	0.8985
807	LGC	0.8984
808	MWP	0.8984
809	260	0.8983
810	CWJ	0.8982
811	ABE	0.8982
812	DAS	0.8980
813	DX4	0.8979
814	ESP	0.8979
815	4VY	0.8978
816	PHE	0.8978
817	BDF	0.8977
818	ARW	0.8977
819	FRU	0.8977
820	8WO	0.8976
821	OTW	0.8973
822	KP6	0.8972
823	MO8	0.8972
824	Y8I	0.8972
825	MAK	0.8971
826	AJV	0.8971
827	SVD	0.8971
828	GLA	0.8970
829	DMV	0.8968
830	HHH	0.8968
831	D1X	0.8968
832	N4B	0.8967
833	Q6T	0.8966
834	IOL	0.8965
835	HSE	0.8965
836	2AL	0.8965
837	M0W	0.8965
838	TTY	0.8962
839	0JD	0.8961
840	YPN	0.8961
841	1GP	0.8961
842	25W	0.8961
843	GLT	0.8960
844	DBJ	0.8959
845	GAF	0.8958
846	GYE	0.8958
847	JYD	0.8957
848	ITN	0.8957
849	42C	0.8957
850	1SA	0.8957
851	ICC	0.8957
852	PRA	0.8956
853	QX4	0.8956
854	DS0	0.8955
855	GZL	0.8954
856	GXL	0.8954
857	GZ3	0.8954
858	FLA	0.8953
859	XHP	0.8952
860	4MU	0.8951
861	PEP	0.8951
862	DHI	0.8950
863	34D	0.8950
864	CTS	0.8950
865	PYQ	0.8949
866	DHK	0.8948
867	FK8	0.8947
868	DQU	0.8946
869	2AK	0.8943
870	PYG	0.8943
871	GCS	0.8942
872	V55	0.8941
873	MZG	0.8940
874	8S0	0.8940
875	SPV	0.8939
876	FGZ	0.8939
877	SN4	0.8938
878	K7M	0.8936
879	F4Z	0.8936
880	RJY	0.8934
881	2PG	0.8934
882	GLU	0.8933
883	F0J	0.8933
884	G3F	0.8933
885	4ZC	0.8932
886	GLF	0.8932
887	SHG	0.8931
888	J9N	0.8931
889	NCT	0.8930
890	15N	0.8929
891	13P	0.8927
892	PMF	0.8927
893	J0Z	0.8926
894	26D	0.8926
895	I4B	0.8925
896	0FO	0.8923
897	DRL	0.8923
898	Q02	0.8923
899	M0Q	0.8923
900	149	0.8923
901	M1H	0.8922
902	BVC	0.8922
903	94B	0.8921
904	44W	0.8919
905	7VS	0.8918
906	AHB	0.8917
907	EV0	0.8917
908	7MH	0.8917
909	ESX	0.8916
910	BEW	0.8916
911	449	0.8914
912	HVQ	0.8914
913	2FG	0.8912
914	R67	0.8911
915	SOR	0.8908
916	AW5	0.8908
917	OMD	0.8908
918	PXM	0.8907
919	NQ	0.8907
920	495	0.8906
921	JFJ	0.8905
922	NXA	0.8905
923	0CU	0.8904
924	UNC	0.8904
925	3AL	0.8902
926	SNE	0.8902
927	HPY	0.8902
928	3MB	0.8901
929	S76	0.8901
930	FOT	0.8901
931	GCB	0.8900
932	QX2	0.8900
933	9RH	0.8900
934	BOA	0.8900
935	FCA	0.8900
936	CRS	0.8900
937	GGL	0.8898
938	X6X	0.8898
939	5WZ	0.8897
940	RXA	0.8897
941	VNL	0.8897
942	AEG	0.8896
943	CAQ	0.8896
944	3ZQ	0.8896
945	KIV	0.8895
946	IMR	0.8892
947	JFD	0.8892
948	AS3	0.8892
949	AKH	0.8891
950	VOH	0.8891
951	OVM	0.8890
952	M1E	0.8890
953	ALL	0.8889
954	TAG	0.8886
955	R1X	0.8886
956	ALO	0.8886
957	1XX	0.8885
958	23W	0.8884
959	EXO	0.8884
960	SRO	0.8884
961	DTL	0.8884
962	TC7	0.8883
963	JTH	0.8883
964	XQG	0.8882
965	HXX	0.8882
966	H3M	0.8880
967	WOO	0.8879
968	HZQ	0.8878
969	X05	0.8878
970	4HP	0.8877
971	HLZ	0.8876
972	9MG	0.8875
973	GUA	0.8875
974	L5V	0.8874
975	M6W	0.8874
976	EVA	0.8873
977	DGL	0.8873
978	FBU	0.8872
979	VK3	0.8872
980	9YL	0.8871
981	F31	0.8871
982	PRZ	0.8870
983	BCP	0.8870
984	CPZ	0.8870
985	UFV	0.8869
986	MVN	0.8867
987	LER	0.8866
988	280	0.8866
989	8K2	0.8862
990	HGQ	0.8862
991	36E	0.8861
992	HX2	0.8858
993	40O	0.8858
994	948	0.8857
995	GIV	0.8855
996	ADA	0.8854
997	IJZ	0.8854
998	QBK	0.8854
999	MSR	0.8854
1000	QWW	0.8853
1001	G6D	0.8851
1002	428	0.8850
1003	LDU	0.8850
1004	YHO	0.8850
1005	DHY	0.8848
1006	F5B	0.8848
1007	S24	0.8848
1008	EOL	0.8848
1009	FA3	0.8848
1010	285	0.8847
1011	VAL	0.8846
1012	O7U	0.8846
1013	1GN	0.8845
1014	2H5	0.8843
1015	PFB	0.8843
1016	ICF	0.8842
1017	4P0	0.8842
1018	MLA	0.8842
1019	MLI	0.8841
1020	HCS	0.8840
1021	LSA	0.8840
1022	RAM	0.8839
1023	2CH	0.8838
1024	M45	0.8837
1025	TEP	0.8837
1026	3R6	0.8837
1027	OXE	0.8836
1028	FUB	0.8835
1029	IQ0	0.8835
1030	KYD	0.8834
1031	AEH	0.8833
1032	XSP	0.8832
1033	NEQ	0.8832
1034	0F9	0.8831
1035	3PG	0.8830
1036	SXS	0.8828
1037	YIO	0.8828
1038	ORN	0.8827
1039	XXR	0.8827
1040	F4E	0.8826
1041	LT1	0.8826
1042	N2Z	0.8825
1043	3YP	0.8825
1044	PBE	0.8825
1045	GIO	0.8824
1046	T6C	0.8823
1047	MAQ	0.8821
1048	284	0.8821
1049	GOJ	0.8820
1050	CIZ	0.8819
1051	LRH	0.8818
1052	HJP	0.8818
1053	XXG	0.8817
1054	SYG	0.8817
1055	GOO	0.8815
1056	NVI	0.8815
1057	MJ2	0.8814
1058	DUC	0.8814
1059	MRY	0.8813
1060	IAC	0.8812
1061	DIU	0.8812
1062	JZ0	0.8811
1063	B60	0.8809
1064	TOF	0.8807
1065	ZZ3	0.8805
1066	6VD	0.8805
1067	9ZE	0.8805
1068	FUF	0.8803
1069	263	0.8801
1070	RCO	0.8800
1071	C2U	0.8800
1072	HCI	0.8800
1073	RM4	0.8800
1074	F1A	0.8799
1075	GWM	0.8798
1076	6TZ	0.8798
1077	3HP	0.8797
1078	IWT	0.8796
1079	2FQ	0.8795
1080	0BP	0.8794
1081	R20	0.8794
1082	ZZZ	0.8794
1083	5DI	0.8793
1084	TZF	0.8792
1085	0V5	0.8792
1086	GTR	0.8791
1087	PEQ	0.8790
1088	4ME	0.8790
1089	THR	0.8789
1090	92P	0.8788
1091	3MC	0.8788
1092	329	0.8787
1093	2A7	0.8786
1094	6OT	0.8784
1095	OGA	0.8784
1096	GJP	0.8783
1097	MBG	0.8782
1098	4BZ	0.8782
1099	3CH	0.8782
1100	5WX	0.8782
1101	152	0.8781
1102	3BU	0.8778
1103	3C4	0.8776
1104	L14	0.8776
1105	GMN	0.8775
1106	L89	0.8774
1107	1AN	0.8773
1108	2AF	0.8773
1109	SR1	0.8772
1110	FP2	0.8772
1111	92Z	0.8772
1112	RUY	0.8770
1113	OW4	0.8768
1114	OA3	0.8768
1115	5LA	0.8765
1116	CXL	0.8765
1117	93Q	0.8762
1118	IPH	0.8761
1119	IOM	0.8760
1120	UNJ	0.8760
1121	39A	0.8760
1122	8LG	0.8759
1123	M4S	0.8759
1124	NHG	0.8759
1125	C2Y	0.8757
1126	IZC	0.8757
1127	Z5P	0.8754
1128	NLE	0.8753
1129	3HG	0.8753
1130	2C2	0.8753
1131	HTS	0.8753
1132	4TU	0.8752
1133	3Z7	0.8751
1134	SF9	0.8750
1135	BPW	0.8749
1136	LEU	0.8746
1137	IPZ	0.8745
1138	8W9	0.8744
1139	76X	0.8744
1140	6KX	0.8744
1141	T9G	0.8744
1142	9TY	0.8742
1143	FCB	0.8742
1144	GVG	0.8740
1145	RUU	0.8740
1146	GCU	0.8738
1147	3QM	0.8737
1148	PGA	0.8736
1149	QSH	0.8734
1150	FLM	0.8733
1151	2CL	0.8729
1152	INE	0.8728
1153	LG3	0.8726
1154	7ZE	0.8726
1155	FUD	0.8725
1156	I2M	0.8724
1157	938	0.8724
1158	CEJ	0.8724
1159	HA7	0.8723
1160	X09	0.8723
1161	OVP	0.8722
1162	EN1	0.8722
1163	B2J	0.8721
1164	ESI	0.8720
1165	CYT	0.8719
1166	FFP	0.8717
1167	ACH	0.8715
1168	PRF	0.8714
1169	7D2	0.8713
1170	BVF	0.8712
1171	0W1	0.8712
1172	NGO	0.8710
1173	G2H	0.8708
1174	4NB	0.8708
1175	5WY	0.8707
1176	SME	0.8704
1177	4NG	0.8703
1178	H95	0.8703
1179	O2A	0.8702
1180	CSS	0.8700
1181	7VP	0.8692
1182	YTB	0.8692
1183	2KT	0.8691
1184	ADK	0.8690
1185	DQA	0.8689
1186	KTW	0.8689
1187	AAE	0.8689
1188	1U6	0.8688
1189	B0D	0.8687
1190	PH2	0.8685
1191	EXD	0.8685
1192	12T	0.8683
1193	95Z	0.8682
1194	CLZ	0.8681
1195	7ME	0.8681
1196	MFB	0.8681
1197	MBD	0.8680
1198	AX3	0.8680
1199	3PY	0.8679
1200	6MH	0.8677
1201	FPK	0.8676
1202	GLO	0.8675
1203	HQ9	0.8675
1204	8GF	0.8674
1205	QIC	0.8673
1206	4BY	0.8673
1207	9X6	0.8673
1208	LG5	0.8671
1209	MEV	0.8668
1210	TBP	0.8668
1211	3ZB	0.8668
1212	PQ0	0.8666
1213	3FA	0.8666
1214	IHG	0.8666
1215	CMS	0.8665
1216	PDC	0.8664
1217	NDM	0.8664
1218	HHI	0.8662
1219	C5J	0.8659
1220	2C9	0.8658
1221	ONR	0.8656
1222	GP9	0.8654
1223	QUS	0.8653
1224	PRI	0.8653
1225	LQ2	0.8651
1226	HX4	0.8651
1227	36Y	0.8647
1228	8EW	0.8645
1229	3MG	0.8641
1230	BNL	0.8639
1231	61M	0.8638
1232	CFF	0.8638
1233	INS	0.8638
1234	NVU	0.8637
1235	2MY	0.8635
1236	MLM	0.8634
1237	LKA	0.8634
1238	ISE	0.8634
1239	MSN	0.8632
1240	JXN	0.8631
1241	P84	0.8631
1242	4SD	0.8628
1243	BNT	0.8627
1244	K17	0.8627
1245	PPY	0.8626
1246	2TQ	0.8623
1247	NK1	0.8623
1248	PD2	0.8622
1249	AC5	0.8621
1250	KMH	0.8620
1251	SC2	0.8620
1252	SDD	0.8618
1253	34V	0.8613
1254	PJW	0.8606
1255	I3E	0.8603
1256	MBN	0.8602
1257	XXP	0.8602
1258	9PY	0.8602
1259	MPV	0.8599
1260	8XL	0.8597
1261	TT4	0.8597
1262	278	0.8595
1263	P2D	0.8594
1264	XX3	0.8592
1265	DTU	0.8589
1266	1XA	0.8585
1267	APS	0.8583
1268	1L5	0.8581
1269	LNO	0.8580
1270	AES	0.8564
1271	GG6	0.8563
1272	E35	0.8555
1273	4XX	0.8548
1274	PAH	0.8541
1275	DQN	0.8540
1276	G1O	0.8539
1277	MFU	0.8539
1278	GCO	0.8538
1279	JUG	0.8530
1280	TSR	0.8516
1281	K32	0.8506

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

Pocket No.: 1; Query (leader) PDB : 5AM1; Ligand: I5T; 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: 5am1.bio1) has 47 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 2; Query (leader) PDB : 5AM1; Ligand: I5T; 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: 5am1.bio1) has 47 residues
No:	Leader PDB	Ligand	Sequence Similarity

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