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Showing PDB: 5AKK

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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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Family 90% : .ZIP | .CSV

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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
5AKK	1.9 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	NGL Viewer	Molecular Weight (Da)	Formula	SMILES
1P8	A:1550; A:1551;	Valid; Valid;	none; none;	ic50 = 99.3 uM		212.043	C8 H6 Br N O	c1cc2...
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: 1P8; Similar ligands found: 4

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	1P8	1	1
2	ES2	0.511111	0.935484
3	4YO	0.408163	0.642857
4	5GU	0.4	0.642857

Similar Ligands (3D)

Ligand no: 1; Ligand: 1P8; Similar ligands found: 1315

No:	Ligand	Similarity coefficient
1	CLW	1.0000
2	36R	1.0000
3	VGD	1.0000
4	5VM	0.9987
5	JA8	0.9963
6	ET2	0.9924
7	K2T	0.9872
8	FBB	0.9831
9	H42	0.9808
10	11S	0.9759
11	H4N	0.9755
12	ES9	0.9753
13	8NY	0.9752
14	CWJ	0.9751
15	JB5	0.9746
16	2AQ	0.9742
17	FK1	0.9740
18	2HQ	0.9740
19	4FS	0.9735
20	ES5	0.9734
21	03V	0.9727
22	XAZ	0.9727
23	5MI	0.9726
24	F60	0.9716
25	5JQ	0.9716
26	2K4	0.9705
27	14O	0.9702
28	5MB	0.9699
29	5H1	0.9698
30	94W	0.9698
31	OCH	0.9691
32	COU	0.9690
33	BZX	0.9689
34	6RQ	0.9686
35	6AI	0.9685
36	KJU	0.9683
37	AX7	0.9682
38	SYV	0.9669
39	BZ3	0.9655
40	270	0.9651
41	IV2	0.9648
42	XQ0	0.9648
43	URC	0.9646
44	F9Y	0.9645
45	5OB	0.9636
46	75K	0.9633
47	5XC	0.9632
48	2MI	0.9627
49	5JL	0.9619
50	BCU	0.9611
51	MQN	0.9607
52	P92	0.9606
53	ABV	0.9603
54	XM0	0.9603
55	RM1	0.9601
56	B55	0.9598
57	5WV	0.9598
58	J6W	0.9591
59	0TU	0.9591
60	8ZE	0.9589
61	9R5	0.9588
62	4JT	0.9586
63	PHB	0.9585
64	3PF	0.9578
65	MR1	0.9575
66	N2I	0.9572
67	3ID	0.9571
68	8TX	0.9569
69	DMD	0.9567
70	KDV	0.9562
71	G3E	0.9558
72	HDH	0.9553
73	86J	0.9552
74	QWN	0.9542
75	BTY	0.9541
76	PKU	0.9538
77	2A9	0.9532
78	5QY	0.9530
79	2BG	0.9519
80	7MU	0.9513
81	1P7	0.9506
82	D48	0.9504
83	4JQ	0.9501
84	NPO	0.9501
85	PNZ	0.9501
86	4FA	0.9500
87	1M2	0.9494
88	KOJ	0.9492
89	4HM	0.9492
90	XIY	0.9491
91	ODO	0.9491
92	M6N	0.9489
93	E5X	0.9488
94	TTL	0.9487
95	J5I	0.9481
96	PAB	0.9479
97	I3A	0.9475
98	7W4	0.9471
99	GLC	0.9471
100	J9T	0.9469
101	5B1	0.9468
102	8WO	0.9467
103	XYL	0.9464
104	RB5	0.9464
105	BOA	0.9464
106	HBD	0.9463
107	QXW	0.9462
108	7W1	0.9462
109	OTR	0.9461
110	67N	0.9459
111	MEW	0.9456
112	Z82	0.9455
113	JAE	0.9454
114	CTL	0.9454
115	717	0.9453
116	SE2	0.9453
117	BGC	0.9453
118	DOB	0.9452
119	ISN	0.9452
120	AC6	0.9451
121	ISZ	0.9450
122	4NM	0.9448
123	E7S	0.9447
124	BHA	0.9446
125	A29	0.9446
126	PZM	0.9445
127	ASO	0.9445
128	ANN	0.9444
129	7HQ	0.9444
130	HMH	0.9444
131	KKN	0.9444
132	YH7	0.9444
133	1Y6	0.9443
134	0JD	0.9443
135	FA0	0.9442
136	ES7	0.9436
137	R8S	0.9434
138	DHR	0.9434
139	2CK	0.9432
140	8IG	0.9429
141	5NU	0.9428
142	4M0	0.9425
143	9DG	0.9425
144	ES0	0.9424
145	1XM	0.9424
146	SKA	0.9421
147	4XR	0.9421
148	NIZ	0.9416
149	Q88	0.9415
150	J9Q	0.9415
151	AZ8	0.9413
152	Q24	0.9412
153	M5K	0.9412
154	NOY	0.9411
155	174	0.9411
156	CWM	0.9410
157	QUZ	0.9408
158	TH7	0.9407
159	MS9	0.9407
160	JFJ	0.9403
161	HBA	0.9403
162	AZA	0.9401
163	GUN	0.9401
164	5CU	0.9399
165	4AA	0.9398
166	AJ2	0.9397
167	LCN	0.9396
168	NPY	0.9395
169	1PT	0.9395
170	6M9	0.9395
171	XAN	0.9395
172	AHR	0.9395
173	NOJ	0.9394
174	FBM	0.9393
175	AMH	0.9393
176	4CS	0.9393
177	BHO	0.9392
178	M1A	0.9390
179	0HO	0.9389
180	WCE	0.9389
181	PBZ	0.9388
182	P72	0.9387
183	8H8	0.9386
184	2FY	0.9385
185	OVM	0.9384
186	3MB	0.9381
187	826	0.9379
188	I1E	0.9378
189	OW4	0.9377
190	3DM	0.9376
191	4HC	0.9376
192	4MA	0.9375
193	RBL	0.9374
194	A2F	0.9374
195	AQO	0.9372
196	KUF	0.9372
197	3HA	0.9372
198	BCP	0.9370
199	INO	0.9368
200	12Q	0.9368
201	6NT	0.9367
202	HIS	0.9366
203	173	0.9366
204	GAB	0.9365
205	A7W	0.9362
206	IFL	0.9360
207	TSS	0.9360
208	FEH	0.9359
209	XYP	0.9358
210	F4E	0.9357
211	0CU	0.9357
212	HQJ	0.9356
213	1DW	0.9355
214	HQT	0.9354
215	HSO	0.9353
216	YRL	0.9351
217	B62	0.9350
218	3HM	0.9349
219	3M0	0.9348
220	3F0	0.9348
221	BSX	0.9347
222	3NT	0.9346
223	EA1	0.9345
224	CWS	0.9345
225	IGA	0.9345
226	4P5	0.9340
227	HHA	0.9339
228	MRW	0.9339
229	MUA	0.9338
230	1F1	0.9337
231	NMJ	0.9337
232	0RW	0.9336
233	6AP	0.9336
234	259	0.9335
235	TYL	0.9335
236	AEF	0.9335
237	HX3	0.9334
238	FYU	0.9334
239	141	0.9334
240	97T	0.9333
241	DIN	0.9331
242	KJH	0.9331
243	G2F	0.9329
244	DX4	0.9329
245	PE0	0.9328
246	8GC	0.9328
247	CFI	0.9326
248	0HN	0.9326
249	NDH	0.9325
250	OVV	0.9324
251	5QX	0.9322
252	9FL	0.9321
253	DHB	0.9320
254	YPN	0.9319
255	4NC	0.9319
256	XX2	0.9319
257	2HU	0.9317
258	3BZ	0.9314
259	93K	0.9314
260	BPN	0.9314
261	4BL	0.9313
262	3AB	0.9313
263	NSP	0.9312
264	2EC	0.9311
265	SW7	0.9309
266	FHB	0.9308
267	ZZT	0.9308
268	TGX	0.9307
269	HMU	0.9306
270	4BZ	0.9304
271	IFM	0.9303
272	LZM	0.9303
273	PHU	0.9302
274	IWT	0.9302
275	AZG	0.9302
276	3HB	0.9302
277	6KT	0.9302
278	4A3	0.9301
279	F81	0.9301
280	5NI	0.9301
281	4VP	0.9300
282	A7H	0.9300
283	6NI	0.9300
284	2ZM	0.9300
285	BRT	0.9300
286	JAW	0.9300
287	F05	0.9300
288	15E	0.9299
289	LPK	0.9298
290	3NY	0.9298
291	MSR	0.9298
292	0FO	0.9297
293	2HO	0.9296
294	9EW	0.9296
295	OTW	0.9295
296	IND	0.9295
297	42A	0.9293
298	LXC	0.9293
299	BZI	0.9291
300	F9P	0.9290
301	DQU	0.9289
302	SOE	0.9289
303	3A9	0.9288
304	MYJ	0.9288
305	UNJ	0.9288
306	6M4	0.9287
307	0P6	0.9286
308	LZ1	0.9283
309	4MU	0.9282
310	FBA	0.9281
311	XHP	0.9281
312	92K	0.9281
313	5HN	0.9281
314	LYL	0.9280
315	3OC	0.9279
316	EUG	0.9278
317	SX1	0.9277
318	3ZB	0.9277
319	2D0	0.9277
320	2AK	0.9275
321	4JP	0.9275
322	DGJ	0.9274
323	SHA	0.9273
324	2F6	0.9272
325	AZ9	0.9272
326	GOJ	0.9271
327	DEN	0.9270
328	PXL	0.9270
329	BZF	0.9270
330	R9Y	0.9269
331	HC4	0.9267
332	6VD	0.9266
333	3DO	0.9265
334	GTQ	0.9265
335	DIE	0.9264
336	069	0.9264
337	DBH	0.9264
338	14J	0.9264
339	XRG	0.9264
340	FDB	0.9264
341	JBK	0.9262
342	4TU	0.9262
343	NNO	0.9261
344	OVP	0.9259
345	L5V	0.9259
346	4JM	0.9258
347	PQ0	0.9257
348	CN0	0.9255
349	BZ2	0.9255
350	GCS	0.9255
351	45L	0.9253
352	8CM	0.9252
353	OAA	0.9251
354	FE DB1	0.9250
355	24B	0.9249
356	FQI	0.9248
357	4WL	0.9248
358	HH5	0.9245
359	P9P	0.9245
360	24W	0.9245
361	0R1	0.9244
362	5UC	0.9244
363	4BY	0.9243
364	5RG	0.9243
365	MPI	0.9240
366	0CT	0.9239
367	ABI	0.9237
368	SRT	0.9236
369	HHH	0.9236
370	HQD	0.9236
371	IDM	0.9235
372	FP1	0.9234
373	9CA	0.9234
374	F31	0.9233
375	3BU	0.9232
376	54G	0.9232
377	15N	0.9231
378	G3F	0.9231
379	GVH	0.9230
380	DE5	0.9229
381	XBT	0.9229
382	SWA	0.9228
383	5RN	0.9228
384	44W	0.9227
385	23A	0.9227
386	TPA	0.9226
387	6ME	0.9225
388	B57	0.9225
389	1IT	0.9225
390	LT2	0.9224
391	BEZ	0.9224
392	K34	0.9223
393	6CS	0.9223
394	5MK	0.9222
395	7VS	0.9222
396	PEA	0.9222
397	RNS	0.9221
398	I3E	0.9221
399	QBK	0.9221
400	5M0	0.9220
401	PRF	0.9219
402	CFP	0.9218
403	9TW	0.9218
404	82I	0.9217
405	BAM	0.9217
406	1MC	0.9216
407	JDN	0.9215
408	GAL	0.9214
409	3QV	0.9214
410	BEN	0.9214
411	N5J	0.9211
412	JB8	0.9211
413	TT4	0.9210
414	6TZ	0.9207
415	SN4	0.9206
416	GIF	0.9204
417	4ZA	0.9204
418	M3H	0.9203
419	II6	0.9203
420	5SG	0.9203
421	44V	0.9203
422	C2B	0.9202
423	BK9	0.9201
424	CHB	0.9201
425	1NP	0.9200
426	YCP	0.9200
427	5Q0	0.9199
428	TH0	0.9198
429	53C	0.9197
430	H8N	0.9195
431	5IQ	0.9195
432	XQG	0.9195
433	1LQ	0.9194
434	SVN	0.9194
435	CPZ	0.9193
436	L99	0.9191
437	3Z8	0.9190
438	JZ9	0.9189
439	M4T	0.9189
440	4JL	0.9186
441	4YS	0.9185
442	LNR	0.9184
443	AGK	0.9184
444	MVN	0.9184
445	M0Q	0.9184
446	TDR	0.9184
447	QWW	0.9182
448	290	0.9181
449	1SQ	0.9181
450	KT7	0.9180
451	5LA	0.9180
452	428	0.9180
453	NBZ	0.9180
454	AFR	0.9179
455	OXZ	0.9176
456	MLT	0.9176
457	HQY	0.9175
458	7B4	0.9175
459	HIO	0.9174
460	HHI	0.9174
461	MCT	0.9173
462	BE2	0.9171
463	BEA	0.9170
464	ICB	0.9170
465	SAL	0.9170
466	OK7	0.9169
467	R8V	0.9169
468	NIO	0.9169
469	6PC	0.9169
470	5MH	0.9169
471	E7Z	0.9168
472	ADE	0.9167
473	3R6	0.9165
474	QX2	0.9164
475	N8Y	0.9164
476	ES1	0.9164
477	DRL	0.9162
478	FUD	0.9161
479	PAC	0.9160
480	K97	0.9160
481	ASC	0.9159
482	8W9	0.9159
483	PH2	0.9159
484	9ZE	0.9158
485	42J	0.9158
486	PIM	0.9158
487	NCA	0.9158
488	PZA	0.9158
489	URF	0.9158
490	4Z4	0.9154
491	HLZ	0.9153
492	E1T	0.9153
493	9TZ	0.9152
494	MNM	0.9152
495	N2Z	0.9151
496	JLZ	0.9151
497	7ME	0.9150
498	RSO	0.9150
499	M1Q	0.9150
500	PZI	0.9147
501	MXN	0.9146
502	MO8	0.9146
503	0N7	0.9145
504	IF7	0.9144
505	PBA	0.9144
506	HY1	0.9143
507	VOH	0.9143
508	FAN	0.9143
509	ICO	0.9142
510	JPZ	0.9141
511	SNO	0.9141
512	7WG	0.9139
513	52C	0.9139
514	6FZ	0.9138
515	SJ5	0.9137
516	QSB	0.9136
517	8S0	0.9135
518	PIY	0.9134
519	2AL	0.9134
520	5RO	0.9134
521	C1M	0.9133
522	HPA	0.9133
523	M2K	0.9132
524	WBU	0.9132
525	B53	0.9131
526	VNL	0.9130
527	XBZ	0.9130
528	DBJ	0.9128
529	TZF	0.9128
530	TIU	0.9125
531	ZBT	0.9123
532	3U4	0.9122
533	XUL	0.9121
534	4VY	0.9121
535	IFP	0.9121
536	5WZ	0.9120
537	0W8	0.9119
538	4HO	0.9119
539	SAN	0.9119
540	OW7	0.9118
541	6GU	0.9118
542	AAS	0.9116
543	CLZ	0.9115
544	VK3	0.9115
545	8OZ	0.9115
546	1KP	0.9114
547	ICP	0.9114
548	SNU	0.9112
549	4SV	0.9110
550	2XX	0.9109
551	NTN	0.9109
552	IHB	0.9107
553	PBC	0.9107
554	BDF	0.9106
555	G4D	0.9106
556	ZXD	0.9106
557	BDP	0.9106
558	43M	0.9105
559	GVG	0.9105
560	8NX	0.9104
561	GXY	0.9104
562	UNU	0.9103
563	8WT	0.9101
564	XLS	0.9100
565	12T	0.9100
566	3XX	0.9100
567	IUR	0.9100
568	NAG	0.9100
569	4ME	0.9098
570	4XH	0.9097
571	AJV	0.9097
572	RNO	0.9096
573	4NB	0.9096
574	RSF	0.9095
575	1AL	0.9093
576	FDR	0.9092
577	SMN	0.9090
578	DFB	0.9090
579	AL0	0.9088
580	R20	0.9088
581	FPY	0.9085
582	268	0.9085
583	NQ	0.9085
584	MWM	0.9084
585	IDH	0.9083
586	CH9	0.9083
587	RIB	0.9082
588	LDP	0.9080
589	IPB	0.9080
590	ADZ	0.9079
591	9MG	0.9079
592	10L	0.9078
593	GZL	0.9078
594	AC0	0.9077
595	HLR	0.9076
596	GLO	0.9075
597	FCR	0.9075
598	92P	0.9074
599	4ZE	0.9074
600	FBJ	0.9073
601	PYD	0.9071
602	LGC	0.9067
603	C2Y	0.9067
604	XYD	0.9067
605	4JO	0.9067
606	QSC	0.9065
607	NCT	0.9065
608	CXF	0.9064
609	G5V	0.9064
610	0FN	0.9063
611	2H5	0.9063
612	7VP	0.9062
613	PDC	0.9062
614	0F9	0.9060
615	PCA	0.9059
616	M4E	0.9059
617	HH8	0.9058
618	INE	0.9058
619	AMC	0.9057
620	BE7	0.9056
621	6MP	0.9055
622	ESX	0.9054
623	1P3	0.9053
624	TSU	0.9053
625	PA1	0.9052
626	2AC	0.9052
627	SRO	0.9050
628	SLS	0.9049
629	DIU	0.9049
630	MZG	0.9049
631	KJY	0.9048
632	ES6	0.9048
633	JZ2	0.9048
634	DBX	0.9047
635	4JU	0.9047
636	4ZC	0.9046
637	VGL	0.9044
638	X05	0.9042
639	51R	0.9041
640	A1U	0.9041
641	GDE	0.9041
642	GJZ	0.9040
643	4JJ	0.9038
644	AKG	0.9038
645	GCU	0.9038
646	F0J	0.9036
647	3AL	0.9036
648	34A	0.9035
649	NK	0.9034
650	L3Q	0.9033
651	9RW	0.9032
652	M1H	0.9032
653	ONR	0.9031
654	SR1	0.9031
655	JBH	0.9031
656	258	0.9030
657	FRU	0.9029
658	M45	0.9029
659	BP1	0.9029
660	K32	0.9029
661	RXA	0.9027
662	261	0.9026
663	OKG	0.9025
664	W81	0.9024
665	27Y	0.9024
666	2MP	0.9023
667	LQ2	0.9022
668	RHU	0.9022
669	O72	0.9021
670	209	0.9021
671	3FH	0.9021
672	3MG	0.9018
673	FA1	0.9018
674	PEY	0.9017
675	BR9	0.9017
676	4XV	0.9015
677	X0V	0.9014
678	39O	0.9013
679	2LP	0.9012
680	46P	0.9012
681	QY9	0.9011
682	GF4	0.9010
683	2FQ	0.9009
684	2CQ	0.9009
685	B60	0.9008
686	H33	0.9007
687	P9E	0.9007
688	Z5P	0.9006
689	9DA	0.9006
690	H4E	0.9006
691	4JC	0.9005
692	EV0	0.9004
693	TEP	0.9004
694	PHE	0.9004
695	RMN	0.9003
696	7N0	0.9003
697	EN1	0.9003
698	BTE	0.9003
699	FPI	0.9003
700	KBG	0.9002
701	A7N	0.9002
702	RD4	0.9001
703	TWO	0.9001
704	QX4	0.9001
705	DHK	0.9001
706	HHR	0.9000
707	2LY	0.9000
708	MPV	0.9000
709	DYA	0.9000
710	HBX	0.8999
711	XYS	0.8999
712	TAR	0.8998
713	DHS	0.8998
714	M1E	0.8998
715	ALL	0.8997
716	SS1	0.8997
717	LDU	0.8996
718	4CL	0.8996
719	2MH	0.8996
720	1A7	0.8994
721	JKE	0.8994
722	2BX	0.8993
723	ESP	0.8993
724	7WA	0.8993
725	JZ3	0.8992
726	N3W	0.8990
727	AN3	0.8990
728	HX4	0.8990
729	7HP	0.8989
730	K22	0.8988
731	MWJ	0.8986
732	EKZ	0.8984
733	IAC	0.8984
734	4M4	0.8983
735	FUL	0.8983
736	9HX	0.8982
737	V55	0.8981
738	HA5	0.8981
739	PD2	0.8980
740	TLA	0.8979
741	2YU	0.8979
742	5JC	0.8979
743	DMJ	0.8978
744	NGT	0.8976
745	TAG	0.8975
746	GYE	0.8975
747	37T	0.8975
748	GJP	0.8975
749	2FG	0.8974
750	36M	0.8974
751	L14	0.8973
752	CTS	0.8973
753	7NI	0.8973
754	1LM	0.8971
755	JTH	0.8971
756	PXM	0.8970
757	TM7	0.8969
758	RAT	0.8968
759	1HN	0.8968
760	AX3	0.8968
761	ES4	0.8968
762	4J8	0.8968
763	GLA	0.8967
764	PM6	0.8967
765	G6D	0.8967
766	GAF	0.8966
767	JBE	0.8966
768	4RU	0.8966
769	GXL	0.8965
770	NID	0.8964
771	R9S	0.8962
772	1GN	0.8961
773	RIP	0.8961
774	MAQ	0.8960
775	M58	0.8958
776	OXC	0.8958
777	42C	0.8956
778	7MX	0.8956
779	UNC	0.8955
780	PEL	0.8954
781	0BP	0.8953
782	2GS	0.8953
783	1MR	0.8953
784	M4S	0.8953
785	149	0.8952
786	FBS	0.8952
787	GLL	0.8951
788	JG8	0.8949
789	0R0	0.8949
790	0MK	0.8949
791	PRY	0.8948
792	PJW	0.8947
793	PRZ	0.8946
794	P4B	0.8946
795	DNF	0.8944
796	ABN	0.8944
797	K17	0.8944
798	1WG	0.8943
799	UEG	0.8941
800	DVQ	0.8941
801	URS	0.8941
802	DEE	0.8941
803	EUE	0.8941
804	JBQ	0.8940
805	TTY	0.8938
806	36Y	0.8936
807	MWP	0.8935
808	36E	0.8935
809	SKM	0.8934
810	4I8	0.8934
811	AKH	0.8933
812	4FH	0.8932
813	4XS	0.8932
814	RA7	0.8932
815	HT4	0.8932
816	IT2	0.8932
817	LG4	0.8932
818	ZYR	0.8932
819	3R4	0.8931
820	150	0.8931
821	FUC	0.8930
822	BNS	0.8929
823	1DV	0.8928
824	WOO	0.8927
825	QMP	0.8927
826	Q6T	0.8927
827	1WD	0.8926
828	X0U	0.8925
829	TLD	0.8925
830	BNL	0.8925
831	8NB	0.8924
832	XX3	0.8924
833	OHG	0.8924
834	GWM	0.8923
835	KMT	0.8922
836	275	0.8922
837	DHQ	0.8922
838	ADA	0.8921
839	PYF	0.8919
840	AZF	0.8918
841	P84	0.8918
842	A5E	0.8918
843	3WA	0.8918
844	0LH	0.8917
845	C2U	0.8917
846	PQK	0.8916
847	492	0.8916
848	4SX	0.8915
849	1XN	0.8913
850	S76	0.8913
851	X6X	0.8912
852	X09	0.8911
853	2FT	0.8911
854	AEH	0.8910
855	8G0	0.8909
856	5VL	0.8909
857	JZ4	0.8908
858	EQT	0.8908
859	ORO	0.8908
860	344	0.8907
861	S2G	0.8906
862	FGZ	0.8906
863	795	0.8905
864	D07	0.8904
865	PXY	0.8904
866	HQE	0.8904
867	AW5	0.8903
868	GIV	0.8903
869	27B	0.8903
870	DFU	0.8902
871	GO2	0.8902
872	7WV	0.8901
873	PCR	0.8900
874	X0W	0.8899
875	FBW	0.8898
876	UAN	0.8897
877	EYK	0.8897
878	20J	0.8897
879	PYQ	0.8896
880	9FE	0.8894
881	SYN	0.8894
882	APZ	0.8893
883	R2B	0.8892
884	LMR	0.8891
885	FH2	0.8887
886	K5W	0.8887
887	VNJ	0.8886
888	282	0.8886
889	2KA	0.8886
890	CIT	0.8885
891	MAN	0.8884
892	PLQ	0.8883
893	25R	0.8883
894	PY7	0.8882
895	QSH	0.8881
896	GTR	0.8881
897	BML	0.8881
898	GRE	0.8879
899	KTJ	0.8879
900	4HS	0.8879
901	D3G	0.8877
902	GNL	0.8876
903	3SK	0.8876
904	NSG	0.8876
905	DOR	0.8876
906	MAE	0.8876
907	BP9	0.8875
908	32X	0.8875
909	7CZ	0.8875
910	ALE	0.8874
911	XDE	0.8874
912	ZZZ	0.8874
913	KIB	0.8874
914	B5D	0.8874
915	BNF	0.8873
916	AMS	0.8873
917	GUA	0.8873
918	SHG	0.8872
919	FDK	0.8871
920	30G	0.8871
921	NBE	0.8870
922	NDG	0.8870
923	PO6	0.8869
924	K82	0.8869
925	M6W	0.8869
926	MT0	0.8869
927	5XB	0.8869
928	9KT	0.8867
929	XCZ	0.8866
930	C2A	0.8866
931	ARB	0.8866
932	JYB	0.8865
933	GIO	0.8865
934	45C	0.8864
935	4V2	0.8863
936	5WY	0.8863
937	PRO	0.8862
938	3IT	0.8862
939	JBN	0.8862
940	MAJ	0.8861
941	TBS	0.8861
942	J9N	0.8861
943	KYA	0.8861
944	J1Z	0.8860
945	3V4	0.8858
946	OGA	0.8858
947	NF3	0.8857
948	ESI	0.8857
949	ABE	0.8856
950	DRG	0.8855
951	J9W	0.8853
952	YIO	0.8851
953	NDM	0.8850
954	DA1	0.8850
955	0TR	0.8849
956	AJY	0.8848
957	GOO	0.8847
958	8K2	0.8846
959	AES	0.8846
960	OA3	0.8845
961	RPQ	0.8845
962	KW8	0.8845
963	TOF	0.8845
964	P3K	0.8845
965	JXN	0.8844
966	6M1	0.8844
967	4JN	0.8843
968	NYL	0.8842
969	VXX	0.8841
970	FPN	0.8841
971	WOT	0.8840
972	4CH	0.8840
973	SOR	0.8839
974	Q02	0.8838
975	K4V	0.8838
976	CRS	0.8838
977	DA4	0.8837
978	8XL	0.8836
979	FOT	0.8835
980	JIF	0.8835
981	HJP	0.8834
982	JU2	0.8834
983	OXQ	0.8832
984	7B3	0.8832
985	TYR	0.8831
986	HPS	0.8830
987	L22	0.8828
988	0W1	0.8828
989	LI6	0.8827
990	6F0	0.8827
991	1U6	0.8826
992	CFA	0.8825
993	495	0.8825
994	FK8	0.8825
995	5WX	0.8824
996	7ZE	0.8820
997	PFB	0.8819
998	HZQ	0.8819
999	2ZV	0.8819
1000	MBG	0.8818
1001	60P	0.8817
1002	GCB	0.8816
1003	GAG	0.8816
1004	2ZQ	0.8816
1005	39A	0.8816
1006	Q71	0.8815
1007	GBD	0.8815
1008	271	0.8814
1009	SWD	0.8814
1010	LKA	0.8813
1011	APG	0.8813
1012	F12	0.8812
1013	HBO	0.8811
1014	34D	0.8809
1015	D1X	0.8809
1016	293	0.8807
1017	PH3	0.8806
1018	EVA	0.8806
1019	NGO	0.8805
1020	7O4	0.8805
1021	G3P	0.8804
1022	G3H	0.8804
1023	5TY	0.8804
1024	2HC	0.8804
1025	UY7	0.8803
1026	DTL	0.8802
1027	PRA	0.8801
1028	B85	0.8801
1029	0FK	0.8801
1030	MZW	0.8801
1031	N4E	0.8799
1032	8HC	0.8799
1033	61M	0.8798
1034	MRZ	0.8798
1035	TZC	0.8798
1036	Y8I	0.8797
1037	QUS	0.8796
1038	QPR	0.8796
1039	C21	0.8796
1040	KP6	0.8795
1041	EPR	0.8795
1042	PFL	0.8795
1043	R8A	0.8794
1044	SYA	0.8794
1045	PYC	0.8794
1046	K8X	0.8792
1047	A13	0.8792
1048	3SL	0.8791
1049	JND	0.8791
1050	PMB	0.8791
1051	F4Z	0.8791
1052	IOL	0.8791
1053	2PC	0.8790
1054	TC7	0.8789
1055	FBV	0.8788
1056	3Z7	0.8788
1057	86L	0.8787
1058	V1T	0.8784
1059	AA	0.8784
1060	FOA	0.8784
1061	KBB	0.8782
1062	IJZ	0.8779
1063	25W	0.8779
1064	UFO	0.8778
1065	23J	0.8778
1066	BPY	0.8776
1067	286	0.8775
1068	SKF	0.8774
1069	PPY	0.8774
1070	0NX	0.8773
1071	KTW	0.8772
1072	M2H	0.8771
1073	S0E	0.8770
1074	091	0.8769
1075	329	0.8768
1076	GLT	0.8768
1077	HY3	0.8768
1078	FBF	0.8767
1079	SD4	0.8766
1080	7D2	0.8765
1081	H62	0.8764
1082	449	0.8764
1083	FB2	0.8763
1084	1SA	0.8762
1085	ASN	0.8762
1086	1L5	0.8762
1087	XXP	0.8761
1088	ASP	0.8760
1089	KMH	0.8760
1090	HX2	0.8757
1091	T9G	0.8756
1092	1DU	0.8755
1093	PYG	0.8755
1094	3C4	0.8751
1095	FCA	0.8750
1096	IQ5	0.8750
1097	4HP	0.8749
1098	URQ	0.8748
1099	95Z	0.8747
1100	TYE	0.8741
1101	HYP	0.8740
1102	TP5	0.8738
1103	THA	0.8738
1104	URP	0.8738
1105	HA7	0.8737
1106	MET	0.8736
1107	ADK	0.8734
1108	JZ5	0.8731
1109	FHC	0.8731
1110	FLC	0.8729
1111	BMA	0.8729
1112	KBZ	0.8729
1113	T6C	0.8729
1114	CK2	0.8728
1115	265	0.8727
1116	K37	0.8727
1117	OMD	0.8726
1118	M0W	0.8726
1119	GLU	0.8725
1120	JP2	0.8725
1121	RCO	0.8725
1122	3RK	0.8723
1123	FB1	0.8723
1124	13P	0.8722
1125	SXS	0.8722
1126	363	0.8717
1127	CFF	0.8716
1128	XXG	0.8714
1129	ANF	0.8714
1130	23W	0.8714
1131	GMN	0.8713
1132	F1A	0.8712
1133	N1E	0.8712
1134	6FB	0.8711
1135	2QC	0.8710
1136	JZ1	0.8709
1137	K3Q	0.8708
1138	APY	0.8708
1139	3W8	0.8708
1140	GCO	0.8706
1141	GDL	0.8705
1142	EXD	0.8704
1143	HGQ	0.8703
1144	GLN	0.8702
1145	JFD	0.8702
1146	7MH	0.8701
1147	UFV	0.8701
1148	LSA	0.8701
1149	HXX	0.8699
1150	BIK	0.8699
1151	FA3	0.8699
1152	28N	0.8698
1153	F5B	0.8696
1154	RUY	0.8695
1155	3CH	0.8695
1156	TXW	0.8694
1157	CKA	0.8688
1158	PEP	0.8688
1159	EMZ	0.8687
1160	BPU	0.8687
1161	M6Z	0.8687
1162	GNM	0.8687
1163	7WR	0.8686
1164	SS2	0.8683
1165	AZM	0.8683
1166	TEO	0.8681
1167	549	0.8681
1168	XXR	0.8680
1169	B24	0.8680
1170	HSM	0.8680
1171	CSN	0.8679
1172	QIC	0.8679
1173	GGL	0.8678
1174	S7J	0.8677
1175	4LW	0.8676
1176	SEP	0.8676
1177	0XT	0.8675
1178	NGA	0.8675
1179	ROI	0.8674
1180	PYJ	0.8673
1181	0OC	0.8672
1182	E3D	0.8672
1183	284	0.8671
1184	1WC	0.8670
1185	FUF	0.8670
1186	URA	0.8670
1187	DQA	0.8668
1188	68A	0.8668
1189	G12	0.8666
1190	ZZ3	0.8666
1191	KDG	0.8665
1192	12B	0.8663
1193	BVF	0.8663
1194	IUP	0.8662
1195	1Z6	0.8662
1196	EXO	0.8660
1197	HHS	0.8660
1198	DX3	0.8660
1199	273	0.8655
1200	64K	0.8653
1201	H76	0.8652
1202	QOS	0.8649
1203	RBJ	0.8648
1204	DNA	0.8648
1205	MBD	0.8647
1206	ECE	0.8645
1207	MFB	0.8644
1208	DPZ	0.8644
1209	DHY	0.8643
1210	MEV	0.8642
1211	2HG	0.8642
1212	EV3	0.8642
1213	3MC	0.8641
1214	R67	0.8640
1215	B2J	0.8639
1216	RAM	0.8638
1217	HSE	0.8637
1218	NK2	0.8637
1219	680	0.8637
1220	SME	0.8637
1221	PHH	0.8635
1222	LG3	0.8634
1223	PX7	0.8632
1224	RM4	0.8632
1225	LDR	0.8632
1226	FCB	0.8632
1227	F4K	0.8630
1228	9AP	0.8629
1229	LEL	0.8629
1230	JAB	0.8628
1231	9X7	0.8627
1232	6MH	0.8627
1233	DTU	0.8626
1234	HQ9	0.8625
1235	BBK	0.8625
1236	M5H	0.8621
1237	HEW	0.8621
1238	LG5	0.8621
1239	KYD	0.8619
1240	P80	0.8618
1241	H5B	0.8617
1242	TM4	0.8617
1243	NVU	0.8617
1244	OQC	0.8616
1245	226	0.8616
1246	B3R	0.8616
1247	EVF	0.8613
1248	2O6	0.8613
1249	R1P	0.8611
1250	QBM	0.8611
1251	3VX	0.8610
1252	FLV	0.8610
1253	H3M	0.8609
1254	MAK	0.8607
1255	SIN	0.8603
1256	FUM	0.8603
1257	QIV	0.8603
1258	3CE	0.8602
1259	M3T	0.8602
1260	FIX	0.8601
1261	SMV	0.8599
1262	HKD	0.8599
1263	2MY	0.8597
1264	4SD	0.8596
1265	ARA	0.8595
1266	3AE	0.8595
1267	ARP	0.8593
1268	K6X	0.8593
1269	AY4	0.8591
1270	3QM	0.8590
1271	26D	0.8590
1272	2C9	0.8589
1273	ORN	0.8589
1274	Q7A	0.8589
1275	IOS	0.8588
1276	7VJ	0.8588
1277	FBT	0.8588
1278	39U	0.8584
1279	GJS	0.8583
1280	3FA	0.8583
1281	PPT	0.8583
1282	DUB	0.8582
1283	TBP	0.8580
1284	F2W	0.8578
1285	4H2	0.8575
1286	2AS	0.8572
1287	MD6	0.8572
1288	2CM	0.8572
1289	YTX	0.8572
1290	5GT	0.8570
1291	Z13	0.8565
1292	4NZ	0.8564
1293	N0Z	0.8563
1294	HNT	0.8560
1295	I6G	0.8560
1296	XIZ	0.8557
1297	FFP	0.8555
1298	6R8	0.8553
1299	1DQ	0.8549
1300	DNC	0.8548
1301	LR5	0.8547
1302	ZVO	0.8545
1303	OHP	0.8541
1304	FLM	0.8537
1305	INS	0.8535
1306	4KL	0.8533
1307	8GF	0.8533
1308	94N	0.8532
1309	QBS	0.8532
1310	KMY	0.8531
1311	DHC	0.8531
1312	4VS	0.8530
1313	M78	0.8529
1314	Y3L	0.8520
1315	QAT	0.8518

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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