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Showing PDB: 5AIB

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Receptor | Ligand | View in 3D

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

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      Structure Biounit | Ligand Information

PDB           : .ZIP | .CSV

Family 90% : .ZIP | .CSV

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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
5AIB	1.95 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
SO4	A:1550; A:1549; A:1551;	Invalid; Invalid; Invalid;	none; none; none;	submit data		96.063	O4 S	[O-]S...
KJU	A:1552;	Valid;	none;	ic50 = 160 uM		183.592	C8 H6 Cl N O2	c1cc2...

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: KJU; Similar ligands found: 2

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	KJU	1	1
2	CLW	0.44	0.652174

Similar Ligands (3D)

Ligand no: 1; Ligand: KJU; Similar ligands found: 1233

No:	Ligand	Similarity coefficient
1	5GU	0.9995
2	JA8	0.9769
3	7ME	0.9727
4	ES2	0.9719
5	4FS	0.9694
6	ES5	0.9692
7	03V	0.9684
8	1P8	0.9683
9	4MU	0.9683
10	H42	0.9682
11	2AQ	0.9677
12	SYV	0.9672
13	BCU	0.9671
14	OCH	0.9671
15	JB5	0.9671
16	COU	0.9669
17	15E	0.9631
18	KDV	0.9629
19	8ZE	0.9625
20	ET2	0.9615
21	VGD	0.9600
22	CWJ	0.9594
23	N2I	0.9590
24	4JT	0.9585
25	36R	0.9583
26	3PF	0.9580
27	5OB	0.9570
28	J5I	0.9569
29	5QY	0.9566
30	BZ3	0.9563
31	D48	0.9556
32	9FL	0.9546
33	SRO	0.9545
34	SE2	0.9544
35	5VM	0.9541
36	G3E	0.9540
37	NDH	0.9527
38	J9W	0.9521
39	FUD	0.9520
40	94W	0.9520
41	RM1	0.9518
42	4AA	0.9516
43	4HC	0.9516
44	1P7	0.9511
45	6RQ	0.9507
46	J6W	0.9507
47	DIN	0.9504
48	I3A	0.9504
49	5XC	0.9503
50	YPN	0.9498
51	IV2	0.9493
52	EA1	0.9492
53	AZ8	0.9492
54	TTL	0.9491
55	AQO	0.9491
56	3DO	0.9488
57	A7W	0.9487
58	FBB	0.9485
59	MEW	0.9484
60	KUF	0.9484
61	MRW	0.9482
62	Q24	0.9480
63	2BG	0.9478
64	F9Y	0.9476
65	5WV	0.9475
66	PE0	0.9473
67	ASO	0.9472
68	MR1	0.9468
69	ISN	0.9465
70	CWS	0.9462
71	AJ2	0.9460
72	MS9	0.9460
73	7W1	0.9456
74	5B1	0.9455
75	8WO	0.9454
76	XIY	0.9454
77	KJH	0.9451
78	5QX	0.9449
79	K2T	0.9448
80	M5K	0.9447
81	SKA	0.9447
82	6NT	0.9447
83	GLC	0.9445
84	KKN	0.9445
85	M1Q	0.9441
86	7W4	0.9441
87	1IT	0.9441
88	4JQ	0.9441
89	BGC	0.9441
90	3NY	0.9440
91	2HQ	0.9436
92	ES7	0.9435
93	5MI	0.9434
94	0HO	0.9432
95	URC	0.9430
96	0P6	0.9429
97	4YO	0.9429
98	CTL	0.9428
99	7HQ	0.9425
100	0JD	0.9425
101	11S	0.9424
102	A29	0.9424
103	12Q	0.9424
104	MQN	0.9420
105	R9Y	0.9418
106	9CA	0.9416
107	BZX	0.9415
108	5H1	0.9414
109	2FY	0.9414
110	3Z8	0.9413
111	E7S	0.9412
112	NOY	0.9410
113	F60	0.9408
114	14O	0.9408
115	0F9	0.9408
116	3ID	0.9407
117	HQT	0.9407
118	JAE	0.9406
119	1M2	0.9406
120	PXL	0.9405
121	GTQ	0.9405
122	1F1	0.9404
123	2ZM	0.9403
124	ODO	0.9400
125	8TX	0.9400
126	0TU	0.9399
127	IFL	0.9398
128	PKU	0.9398
129	H4N	0.9397
130	HQJ	0.9397
131	8CM	0.9396
132	5MB	0.9395
133	CN0	0.9394
134	75K	0.9393
135	0HN	0.9389
136	FK1	0.9389
137	HQD	0.9388
138	TT4	0.9388
139	ES9	0.9387
140	ABV	0.9387
141	LT2	0.9386
142	AZ9	0.9385
143	9R5	0.9384
144	6NI	0.9384
145	DMD	0.9384
146	5NI	0.9384
147	15N	0.9382
148	NOJ	0.9380
149	5JQ	0.9380
150	2K4	0.9379
151	2CK	0.9379
152	6AI	0.9374
153	LCN	0.9373
154	54G	0.9373
155	FBM	0.9372
156	EN1	0.9371
157	G2F	0.9369
158	ISZ	0.9368
159	4HM	0.9368
160	4M0	0.9367
161	6VD	0.9365
162	N8Y	0.9363
163	0N7	0.9362
164	BHO	0.9362
165	2FQ	0.9360
166	0XT	0.9359
167	2HU	0.9355
168	HDH	0.9353
169	9ZE	0.9353
170	NPY	0.9352
171	AJV	0.9351
172	86J	0.9350
173	MO8	0.9348
174	B62	0.9348
175	3A9	0.9347
176	7MU	0.9346
177	1A7	0.9345
178	8IG	0.9343
179	XQ0	0.9342
180	ICO	0.9342
181	8NY	0.9340
182	ABI	0.9340
183	EUG	0.9340
184	IWT	0.9339
185	428	0.9337
186	PNZ	0.9336
187	B55	0.9335
188	JAW	0.9335
189	TSS	0.9335
190	4NM	0.9334
191	AJY	0.9334
192	5JL	0.9332
193	ANN	0.9332
194	PEY	0.9332
195	FA0	0.9332
196	TGX	0.9330
197	HHH	0.9329
198	5RG	0.9328
199	4VY	0.9327
200	ONR	0.9327
201	4TU	0.9327
202	5NU	0.9326
203	J9Q	0.9325
204	OVM	0.9324
205	CFI	0.9324
206	HIS	0.9322
207	30G	0.9321
208	ASC	0.9320
209	069	0.9320
210	5CU	0.9320
211	BK9	0.9319
212	5M0	0.9317
213	2A9	0.9317
214	1DW	0.9317
215	97T	0.9316
216	5RN	0.9316
217	QWN	0.9315
218	F9P	0.9314
219	SX1	0.9314
220	QUZ	0.9313
221	DRL	0.9313
222	DOB	0.9313
223	E5X	0.9313
224	DHR	0.9310
225	G3F	0.9310
226	XAZ	0.9310
227	HLZ	0.9309
228	2MI	0.9308
229	M2K	0.9308
230	SHA	0.9306
231	NIZ	0.9306
232	LGC	0.9305
233	5MK	0.9305
234	BHA	0.9304
235	173	0.9302
236	92K	0.9301
237	4NC	0.9299
238	LNR	0.9297
239	4P5	0.9296
240	3MB	0.9296
241	7VS	0.9295
242	6CS	0.9295
243	XHP	0.9294
244	E1T	0.9294
245	4M4	0.9291
246	3R6	0.9291
247	HC4	0.9290
248	45L	0.9287
249	5RO	0.9287
250	I3E	0.9286
251	JDN	0.9286
252	42A	0.9284
253	HBO	0.9283
254	I1E	0.9283
255	OW4	0.9282
256	O72	0.9281
257	BTY	0.9279
258	F31	0.9278
259	DBJ	0.9276
260	F4E	0.9275
261	XM0	0.9275
262	8S0	0.9275
263	KT7	0.9274
264	M0Q	0.9272
265	AX7	0.9272
266	44W	0.9271
267	5SG	0.9270
268	44V	0.9270
269	AMH	0.9269
270	270	0.9268
271	A7H	0.9268
272	NCT	0.9268
273	XYL	0.9267
274	RB5	0.9267
275	BZJ	0.9267
276	93K	0.9267
277	TH7	0.9266
278	GZL	0.9265
279	NPO	0.9265
280	BZ2	0.9263
281	4ZC	0.9261
282	BEA	0.9261
283	PHB	0.9261
284	X05	0.9259
285	6M9	0.9258
286	OTR	0.9254
287	QBK	0.9254
288	M1H	0.9254
289	DQU	0.9254
290	L5V	0.9254
291	0FO	0.9253
292	1SQ	0.9252
293	M0W	0.9251
294	LZM	0.9250
295	PBA	0.9250
296	5IQ	0.9248
297	259	0.9248
298	INO	0.9247
299	JB8	0.9247
300	KJY	0.9244
301	M1E	0.9244
302	DHB	0.9242
303	2F6	0.9242
304	XX2	0.9241
305	6TZ	0.9241
306	82I	0.9240
307	QXW	0.9240
308	KBG	0.9239
309	F05	0.9239
310	PAB	0.9238
311	6ME	0.9237
312	HQY	0.9235
313	ALL	0.9235
314	1NP	0.9235
315	SLS	0.9234
316	QX4	0.9233
317	AEF	0.9232
318	ESP	0.9231
319	Q88	0.9230
320	MWP	0.9229
321	OTW	0.9227
322	NNO	0.9226
323	1AL	0.9226
324	AC6	0.9226
325	2HO	0.9224
326	CH9	0.9224
327	1KP	0.9223
328	R20	0.9223
329	L99	0.9223
330	8W9	0.9220
331	JND	0.9220
332	XAN	0.9219
333	5Q0	0.9218
334	4BY	0.9218
335	E7Z	0.9217
336	DBH	0.9216
337	4A3	0.9215
338	AHR	0.9215
339	92P	0.9214
340	8WT	0.9213
341	AZA	0.9213
342	HHA	0.9213
343	JP2	0.9213
344	GAB	0.9212
345	6FZ	0.9209
346	6M4	0.9208
347	FHB	0.9207
348	3HM	0.9206
349	HBD	0.9204
350	5WZ	0.9203
351	SN4	0.9202
352	67N	0.9202
353	2LY	0.9202
354	GAL	0.9201
355	9DG	0.9201
356	GJP	0.9200
357	GCS	0.9200
358	717	0.9200
359	NAG	0.9199
360	4YS	0.9199
361	8OZ	0.9199
362	JG8	0.9199
363	C2Y	0.9198
364	JPZ	0.9195
365	MVN	0.9195
366	PBZ	0.9195
367	4WL	0.9194
368	ES1	0.9194
369	4V2	0.9193
370	0RW	0.9193
371	6KT	0.9192
372	4I8	0.9192
373	W81	0.9191
374	RNS	0.9190
375	52C	0.9189
376	4BL	0.9189
377	3M0	0.9189
378	J9N	0.9189
379	GUN	0.9188
380	YH7	0.9188
381	DX3	0.9187
382	MUA	0.9187
383	226	0.9186
384	BDP	0.9186
385	6AP	0.9185
386	MYJ	0.9185
387	WOO	0.9183
388	1LQ	0.9181
389	G5V	0.9181
390	P92	0.9181
391	0W8	0.9181
392	FLV	0.9181
393	ZXD	0.9180
394	RNT	0.9180
395	M1A	0.9179
396	4RU	0.9179
397	OVV	0.9179
398	J9T	0.9179
399	DBX	0.9177
400	DNF	0.9177
401	HMH	0.9176
402	4BZ	0.9174
403	N5J	0.9173
404	AN3	0.9173
405	NMJ	0.9173
406	P9P	0.9172
407	826	0.9171
408	APZ	0.9171
409	ESX	0.9171
410	3HA	0.9171
411	HLR	0.9170
412	1Y6	0.9170
413	RJY	0.9169
414	9TZ	0.9169
415	P72	0.9168
416	4ZA	0.9168
417	39O	0.9166
418	1HN	0.9166
419	HA5	0.9166
420	DIE	0.9165
421	2AK	0.9164
422	9MG	0.9163
423	Z82	0.9161
424	GVG	0.9160
425	24W	0.9159
426	NQ	0.9159
427	2EC	0.9159
428	ROI	0.9158
429	5VL	0.9157
430	PHU	0.9156
431	RMN	0.9155
432	IGA	0.9155
433	L22	0.9155
434	9EW	0.9154
435	7B3	0.9154
436	SRT	0.9153
437	MXN	0.9153
438	1XM	0.9152
439	BIK	0.9151
440	LPK	0.9151
441	2D0	0.9150
442	VK3	0.9149
443	LDP	0.9148
444	7VP	0.9147
445	CWM	0.9146
446	FHC	0.9143
447	PJW	0.9143
448	RAT	0.9142
449	V55	0.9142
450	R8V	0.9141
451	UAN	0.9141
452	IAC	0.9139
453	PQ0	0.9139
454	FDR	0.9138
455	M3H	0.9137
456	FDB	0.9136
457	141	0.9136
458	3BZ	0.9136
459	X09	0.9135
460	8GC	0.9135
461	CLZ	0.9135
462	BPN	0.9135
463	B57	0.9134
464	DIU	0.9134
465	SAL	0.9133
466	RXA	0.9133
467	ICB	0.9132
468	JBH	0.9132
469	B60	0.9131
470	OVP	0.9131
471	ES0	0.9129
472	AZG	0.9129
473	KTA	0.9127
474	JYB	0.9127
475	PIM	0.9127
476	FRU	0.9126
477	4Z4	0.9126
478	SWA	0.9125
479	3IT	0.9124
480	0BP	0.9122
481	1U6	0.9122
482	JBK	0.9122
483	XQG	0.9121
484	VNL	0.9121
485	IPB	0.9120
486	DE5	0.9120
487	SMN	0.9120
488	4MA	0.9120
489	0LH	0.9119
490	FE DB1	0.9118
491	DS0	0.9117
492	X0W	0.9117
493	X0U	0.9116
494	XX3	0.9116
495	4SV	0.9116
496	BE2	0.9115
497	CTS	0.9115
498	XUL	0.9114
499	MAQ	0.9113
500	8NX	0.9113
501	174	0.9112
502	WCE	0.9112
503	3QV	0.9109
504	Z5P	0.9109
505	TTY	0.9107
506	3ZB	0.9107
507	TYE	0.9106
508	9FE	0.9105
509	3BU	0.9104
510	OA3	0.9103
511	DX4	0.9103
512	3DM	0.9103
513	SW7	0.9102
514	PDC	0.9102
515	9RW	0.9101
516	A2F	0.9100
517	3F0	0.9099
518	3HB	0.9099
519	4ME	0.9099
520	6GU	0.9098
521	SOE	0.9097
522	UNJ	0.9096
523	3U4	0.9095
524	H7Y	0.9095
525	TXW	0.9095
526	3AB	0.9095
527	MPV	0.9095
528	FP1	0.9094
529	3NT	0.9094
530	28N	0.9094
531	UFO	0.9092
532	TOF	0.9090
533	F0J	0.9090
534	JU2	0.9090
535	1LM	0.9089
536	R8S	0.9089
537	PRZ	0.9088
538	CK2	0.9088
539	0FN	0.9088
540	3MG	0.9087
541	PIY	0.9087
542	7ZE	0.9087
543	32X	0.9087
544	OMD	0.9087
545	KOJ	0.9086
546	CKA	0.9085
547	9TW	0.9085
548	5HN	0.9084
549	M4T	0.9084
550	4XH	0.9084
551	IHB	0.9083
552	HH8	0.9082
553	OW7	0.9082
554	290	0.9082
555	ES6	0.9079
556	KW8	0.9078
557	CFA	0.9076
558	FYU	0.9076
559	3WA	0.9076
560	TIU	0.9075
561	12T	0.9075
562	SVN	0.9075
563	CHB	0.9074
564	1PT	0.9072
565	H4E	0.9072
566	DGJ	0.9071
567	MNM	0.9071
568	2ZQ	0.9070
569	AEH	0.9069
570	JXN	0.9069
571	ADZ	0.9069
572	CFP	0.9069
573	PD2	0.9068
574	XYP	0.9067
575	ZYR	0.9066
576	JBE	0.9065
577	5WY	0.9064
578	0CU	0.9063
579	8HC	0.9062
580	BOA	0.9062
581	K34	0.9061
582	HH5	0.9061
583	0FK	0.9061
584	XDE	0.9060
585	KYA	0.9059
586	4FA	0.9059
587	DHQ	0.9058
588	2GS	0.9057
589	TYL	0.9057
590	CSN	0.9056
591	JLZ	0.9052
592	N3W	0.9052
593	Q6T	0.9052
594	TPA	0.9051
595	HSO	0.9050
596	L14	0.9050
597	795	0.9050
598	QSB	0.9050
599	7MX	0.9049
600	JFJ	0.9046
601	344	0.9045
602	NVU	0.9045
603	BRT	0.9044
604	DHK	0.9044
605	IF7	0.9043
606	LI6	0.9042
607	3R4	0.9042
608	PZI	0.9042
609	ANF	0.9040
610	HX4	0.9038
611	ZB1	0.9038
612	PRF	0.9038
613	53C	0.9037
614	4CS	0.9037
615	DEW	0.9035
616	TAG	0.9035
617	G12	0.9035
618	UEG	0.9033
619	8H8	0.9033
620	HMU	0.9033
621	268	0.9031
622	GNM	0.9030
623	GYE	0.9030
624	61M	0.9028
625	ALE	0.9027
626	DRG	0.9027
627	C2U	0.9027
628	D3G	0.9026
629	F2W	0.9026
630	VOH	0.9026
631	BPY	0.9025
632	M4E	0.9024
633	9KT	0.9024
634	329	0.9022
635	HHI	0.9022
636	ZZT	0.9021
637	PH2	0.9020
638	RD4	0.9020
639	27B	0.9019
640	091	0.9018
641	UNC	0.9018
642	OAA	0.9017
643	GCU	0.9016
644	DPZ	0.9014
645	AA	0.9013
646	EKZ	0.9012
647	NGT	0.9011
648	KBB	0.9010
649	GJZ	0.9009
650	37T	0.9009
651	7NI	0.9009
652	SKM	0.9009
653	23J	0.9008
654	EYK	0.9008
655	HHR	0.9008
656	BNL	0.9007
657	209	0.9007
658	IFM	0.9006
659	GCB	0.9006
660	GLO	0.9004
661	7B4	0.9004
662	PYQ	0.9003
663	SR1	0.9001
664	NGO	0.9001
665	IFP	0.9001
666	LXC	0.9001
667	GO2	0.9000
668	INE	0.8999
669	QWW	0.8998
670	GT0	0.8995
671	ADA	0.8995
672	MLT	0.8995
673	AAS	0.8994
674	CPZ	0.8994
675	42C	0.8993
676	NID	0.8992
677	8G0	0.8991
678	2LP	0.8991
679	FOT	0.8989
680	FLC	0.8989
681	QX2	0.8989
682	7MK	0.8988
683	VXX	0.8988
684	GOJ	0.8986
685	TZF	0.8985
686	APG	0.8983
687	H33	0.8982
688	II6	0.8982
689	PAC	0.8981
690	BCP	0.8980
691	CIT	0.8980
692	5GT	0.8980
693	1L5	0.8980
694	MSR	0.8980
695	4NB	0.8979
696	25W	0.8978
697	39U	0.8976
698	2H5	0.8975
699	DEN	0.8975
700	P84	0.8974
701	8XL	0.8974
702	4FH	0.8974
703	AL0	0.8973
704	XBT	0.8973
705	PA1	0.8972
706	3XX	0.8972
707	ESI	0.8972
708	MT5	0.8971
709	O2A	0.8971
710	OK7	0.8971
711	PH3	0.8971
712	4XF	0.8970
713	LDR	0.8970
714	YRL	0.8970
715	HBA	0.8969
716	24B	0.8968
717	LYL	0.8967
718	XLS	0.8965
719	GDE	0.8964
720	FQI	0.8964
721	14J	0.8964
722	2KA	0.8963
723	IDM	0.8962
724	1QP	0.8962
725	ZZZ	0.8961
726	TEP	0.8960
727	36M	0.8959
728	DEE	0.8959
729	BEZ	0.8959
730	HX3	0.8958
731	9AP	0.8957
732	GXY	0.8957
733	FAN	0.8956
734	BEN	0.8955
735	FCR	0.8954
736	GLA	0.8953
737	PO6	0.8953
738	GTR	0.8952
739	TYR	0.8951
740	1WG	0.8950
741	PXM	0.8949
742	F12	0.8949
743	V1T	0.8946
744	PPT	0.8945
745	NSP	0.8945
746	PQK	0.8945
747	LQ2	0.8945
748	RNO	0.8944
749	BMA	0.8943
750	SNO	0.8943
751	RBL	0.8943
752	23A	0.8943
753	SJ5	0.8943
754	TSU	0.8942
755	GLT	0.8942
756	X0V	0.8941
757	3OC	0.8938
758	5LA	0.8937
759	X11	0.8936
760	4XR	0.8934
761	SVD	0.8933
762	PHE	0.8933
763	JKE	0.8933
764	RPQ	0.8930
765	150	0.8930
766	SKF	0.8929
767	QPR	0.8928
768	EVA	0.8928
769	PFB	0.8928
770	JF2	0.8928
771	9UL	0.8928
772	PZM	0.8927
773	IJZ	0.8927
774	SXS	0.8926
775	SNU	0.8926
776	3Z7	0.8926
777	3SK	0.8925
778	BAM	0.8925
779	4VP	0.8924
780	7N0	0.8923
781	SOR	0.8923
782	6QF	0.8922
783	MAJ	0.8921
784	TWO	0.8920
785	NBZ	0.8920
786	51R	0.8919
787	2CQ	0.8919
788	PBC	0.8919
789	NCA	0.8918
790	YCP	0.8917
791	JF1	0.8916
792	NK	0.8915
793	NTN	0.8915
794	Q71	0.8914
795	6FB	0.8913
796	SHG	0.8911
797	SF9	0.8911
798	1WD	0.8911
799	2AL	0.8911
800	5TY	0.8909
801	6PC	0.8909
802	NSG	0.8908
803	GNL	0.8908
804	261	0.8908
805	GLU	0.8908
806	FIX	0.8907
807	AC0	0.8907
808	M6Z	0.8907
809	7WV	0.8906
810	MAN	0.8906
811	3FH	0.8906
812	K3Q	0.8905
813	M4S	0.8905
814	YZM	0.8904
815	AY4	0.8904
816	NIO	0.8904
817	THA	0.8904
818	ZBT	0.8900
819	CFF	0.8900
820	K32	0.8900
821	DHC	0.8900
822	A7N	0.8899
823	EQT	0.8899
824	2JK	0.8898
825	GF4	0.8898
826	AKH	0.8897
827	2FG	0.8897
828	M5H	0.8896
829	UNU	0.8895
830	JZ9	0.8894
831	QSC	0.8894
832	4JC	0.8894
833	8NB	0.8894
834	HFA	0.8893
835	1WC	0.8893
836	Q02	0.8891
837	H5B	0.8891
838	HA7	0.8890
839	PZA	0.8889
840	P7Y	0.8888
841	2O6	0.8888
842	FDK	0.8885
843	KTJ	0.8884
844	DK1	0.8884
845	FH2	0.8883
846	B5D	0.8883
847	KTW	0.8883
848	IND	0.8883
849	4JM	0.8881
850	6M1	0.8881
851	DA4	0.8881
852	B53	0.8881
853	HJP	0.8877
854	BNF	0.8877
855	0R1	0.8876
856	F81	0.8875
857	0W1	0.8875
858	1Z6	0.8873
859	FK8	0.8873
860	36Y	0.8872
861	FBJ	0.8871
862	FA1	0.8870
863	SYA	0.8870
864	GRE	0.8869
865	C9E	0.8868
866	BPU	0.8868
867	FBS	0.8867
868	152	0.8866
869	YIO	0.8866
870	SD4	0.8865
871	6F0	0.8865
872	JBQ	0.8865
873	HPA	0.8864
874	QSH	0.8864
875	IQ5	0.8862
876	K5W	0.8860
877	LKA	0.8860
878	LZ1	0.8859
879	VGL	0.8859
880	IOS	0.8858
881	GXL	0.8857
882	4SX	0.8856
883	BZI	0.8856
884	JZ3	0.8856
885	QMP	0.8856
886	PPY	0.8855
887	VNJ	0.8854
888	SAN	0.8854
889	FGZ	0.8853
890	NCD	0.8853
891	ORO	0.8850
892	A5E	0.8848
893	K22	0.8847
894	NDM	0.8847
895	HXX	0.8846
896	TC7	0.8845
897	SS1	0.8845
898	1P3	0.8844
899	GSY	0.8843
900	M6N	0.8843
901	S0E	0.8843
902	AX3	0.8843
903	HRM	0.8841
904	YTX	0.8841
905	6R8	0.8841
906	RUY	0.8841
907	DOR	0.8841
908	MT0	0.8840
909	LMR	0.8840
910	AKG	0.8840
911	GIF	0.8839
912	4J8	0.8839
913	ZZ8	0.8838
914	LEL	0.8838
915	PRY	0.8838
916	M58	0.8838
917	5JC	0.8838
918	CXP	0.8838
919	XCZ	0.8837
920	12B	0.8837
921	BZF	0.8837
922	0NX	0.8837
923	HKD	0.8836
924	GAF	0.8836
925	39A	0.8833
926	R9S	0.8833
927	AMS	0.8833
928	NDG	0.8833
929	M1Z	0.8832
930	MPI	0.8832
931	TLA	0.8831
932	42J	0.8831
933	0R0	0.8831
934	DPT	0.8831
935	A09	0.8830
936	45C	0.8830
937	N1E	0.8830
938	GVH	0.8829
939	DMJ	0.8828
940	Q7A	0.8828
941	495	0.8827
942	ENO	0.8827
943	PFL	0.8825
944	36E	0.8825
945	EV0	0.8823
946	ANC	0.8822
947	1XN	0.8822
948	492	0.8821
949	2HC	0.8817
950	4JP	0.8817
951	NLA	0.8816
952	REL	0.8815
953	2ZV	0.8815
954	OXC	0.8815
955	CCV	0.8814
956	D07	0.8814
957	5XB	0.8814
958	4XV	0.8813
959	CKU	0.8809
960	HZQ	0.8809
961	DFB	0.8809
962	F5B	0.8807
963	X8D	0.8806
964	PX7	0.8805
965	20J	0.8804
966	RA7	0.8804
967	RHU	0.8803
968	N91	0.8802
969	XRG	0.8802
970	ADE	0.8802
971	X6X	0.8801
972	EMZ	0.8799
973	4XS	0.8796
974	5WX	0.8795
975	3J8	0.8794
976	FBW	0.8794
977	P9E	0.8794
978	7VJ	0.8794
979	FBV	0.8793
980	7I2	0.8793
981	G6D	0.8793
982	3VX	0.8792
983	GDL	0.8792
984	68A	0.8792
985	C2A	0.8790
986	PHH	0.8790
987	XXP	0.8789
988	3TC	0.8786
989	7WG	0.8786
990	PCA	0.8785
991	BZE	0.8785
992	F4Z	0.8780
993	67X	0.8780
994	TIY	0.8779
995	TBS	0.8778
996	DNC	0.8778
997	E0O	0.8777
998	TFU	0.8776
999	N4E	0.8775
1000	F1A	0.8773
1001	JZ4	0.8773
1002	KMH	0.8773
1003	0CT	0.8773
1004	HPS	0.8772
1005	4KL	0.8770
1006	K17	0.8770
1007	B85	0.8768
1008	DHS	0.8767
1009	1GN	0.8767
1010	QBM	0.8767
1011	IT2	0.8766
1012	XBZ	0.8766
1013	GCO	0.8766
1014	QAT	0.8765
1015	10L	0.8764
1016	EGR	0.8763
1017	T9G	0.8762
1018	NTZ	0.8762
1019	ZME	0.8761
1020	95Z	0.8761
1021	RAM	0.8760
1022	RSF	0.8760
1023	MBG	0.8759
1024	TH0	0.8759
1025	AW5	0.8758
1026	BSP	0.8757
1027	2BX	0.8757
1028	6BL	0.8757
1029	BTE	0.8757
1030	JUG	0.8755
1031	L03	0.8755
1032	4ZE	0.8754
1033	HQ9	0.8754
1034	AGK	0.8754
1035	Y3L	0.8753
1036	RSO	0.8753
1037	8GK	0.8751
1038	QY9	0.8750
1039	DNA	0.8748
1040	GIV	0.8748
1041	H76	0.8747
1042	2YU	0.8743
1043	N2M	0.8743
1044	LSA	0.8742
1045	149	0.8741
1046	TCR	0.8741
1047	1X7	0.8740
1048	6MP	0.8739
1049	GOO	0.8739
1050	5NE	0.8738
1051	7HP	0.8736
1052	M45	0.8736
1053	KIB	0.8736
1054	4A5	0.8735
1055	7WR	0.8735
1056	363	0.8731
1057	EXD	0.8731
1058	JTH	0.8731
1059	HCI	0.8731
1060	MCT	0.8727
1061	54X	0.8727
1062	EXO	0.8727
1063	9DA	0.8726
1064	2AC	0.8726
1065	PEA	0.8726
1066	JXZ	0.8725
1067	FB1	0.8725
1068	EVF	0.8724
1069	7WA	0.8723
1070	HT4	0.8722
1071	VM1	0.8722
1072	1SA	0.8720
1073	DYA	0.8720
1074	BBK	0.8719
1075	MWM	0.8719
1076	SWD	0.8718
1077	AMR	0.8717
1078	275	0.8715
1079	5GV	0.8715
1080	CIY	0.8712
1081	9HX	0.8712
1082	4LW	0.8711
1083	4CL	0.8711
1084	AES	0.8709
1085	CXF	0.8708
1086	AH9	0.8707
1087	4JJ	0.8706
1088	GJS	0.8704
1089	MQB	0.8704
1090	34A	0.8703
1091	D2G	0.8702
1092	Y8I	0.8702
1093	URF	0.8702
1094	APS	0.8702
1095	P3K	0.8701
1096	XYD	0.8700
1097	M2H	0.8699
1098	1XA	0.8699
1099	AZM	0.8698
1100	IUP	0.8696
1101	MB1	0.8696
1102	27Y	0.8696
1103	8XQ	0.8696
1104	2K8	0.8694
1105	1DV	0.8694
1106	BP1	0.8693
1107	2MP	0.8693
1108	G1O	0.8691
1109	INS	0.8691
1110	FBA	0.8691
1111	D1X	0.8690
1112	JTA	0.8689
1113	5F5	0.8689
1114	EUE	0.8689
1115	TM7	0.8688
1116	JZ2	0.8687
1117	HHS	0.8687
1118	R1P	0.8686
1119	K37	0.8685
1120	MWJ	0.8684
1121	QIC	0.8684
1122	FQX	0.8683
1123	NHG	0.8683
1124	GNV	0.8682
1125	GV9	0.8680
1126	DHY	0.8680
1127	UFV	0.8680
1128	535	0.8679
1129	S7J	0.8678
1130	7O4	0.8678
1131	GLY PRO	0.8677
1132	A1U	0.8677
1133	HJ7	0.8676
1134	ZVO	0.8674
1135	OHP	0.8673
1136	HNQ	0.8672
1137	FBT	0.8672
1138	DTL	0.8671
1139	FUL	0.8670
1140	3HP	0.8667
1141	K82	0.8666
1142	3QM	0.8665
1143	PEL	0.8664
1144	S60	0.8663
1145	QMS	0.8661
1146	4HO	0.8661
1147	ARP	0.8661
1148	9LI	0.8660
1149	QBS	0.8659
1150	EWG	0.8658
1151	GNY	0.8657
1152	JXW	0.8656
1153	BGU	0.8655
1154	XXG	0.8654
1155	680	0.8654
1156	A13	0.8653
1157	XXR	0.8652
1158	FA3	0.8651
1159	6X9	0.8650
1160	KMY	0.8650
1161	ASP	0.8648
1162	BR9	0.8648
1163	AHC	0.8646
1164	TMG	0.8646
1165	RIP	0.8644
1166	55D	0.8643
1167	FB2	0.8642
1168	MZG	0.8640
1169	PRL	0.8635
1170	G1P	0.8635
1171	1MC	0.8634
1172	N7I	0.8633
1173	5NS	0.8633
1174	9PY	0.8632
1175	K8X	0.8631
1176	5MH	0.8630
1177	WBU	0.8628
1178	X48	0.8628
1179	E3D	0.8628
1180	NGA	0.8628
1181	8K2	0.8626
1182	0OC	0.8625
1183	DFU	0.8624
1184	2QC	0.8624
1185	MZW	0.8624
1186	0TR	0.8621
1187	I6G	0.8621
1188	ES4	0.8620
1189	E1K	0.8618
1190	FUC	0.8616
1191	60P	0.8616
1192	06B	0.8615
1193	TDR	0.8614
1194	PM6	0.8613
1195	S76	0.8613
1196	YIE	0.8613
1197	KBZ	0.8612
1198	MS0	0.8612
1199	GGL	0.8611
1200	0MK	0.8608
1201	H8N	0.8606
1202	3RK	0.8605
1203	43M	0.8604
1204	MHK	0.8603
1205	KFH	0.8602
1206	549	0.8600
1207	Q77	0.8600
1208	3AE	0.8597
1209	LYS	0.8593
1210	GCV	0.8591
1211	PMB	0.8591
1212	GAG	0.8590
1213	K6X	0.8589
1214	XIZ	0.8588
1215	P4B	0.8585
1216	BNT	0.8583
1217	HLD	0.8583
1218	64C	0.8579
1219	GGB	0.8579
1220	3HG	0.8568
1221	0GZ	0.8565
1222	A5H	0.8563
1223	MZB	0.8558
1224	GZ2	0.8555
1225	9KH	0.8552
1226	LZ2	0.8550
1227	MJ2	0.8547
1228	ISE	0.8545
1229	7CZ	0.8540
1230	MVL	0.8540
1231	OGA	0.8536
1232	GIO	0.8531
1233	JZ5	0.8516

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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