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Showing PDB: 4BDB

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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
4BDB	2.5 Å	EC: 2.7.11.1	FRAGMENT-BASED SCREENING IDENTIFIES A NEW AREA FOR INHIBITOR BINDING TO CHECKPOINT KINASE 2 (CHK2)	HOMO SAPIENS	TRANSFERASE
Ref.:	FRAGMENT-BASED SCREENING MAPS INHIBITOR INTERACTION ATP-BINDING SITE OF CHECKPOINT KINASE 2. PLOS ONE V. 8 65689 2013

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	NGL Viewer	Molecular Weight (Da)	Formula	SMILES
EDO	A:1514; A:1516; A:1517; A:1518; A:1521; A:1523; A:1520; A:1522; A:1519;	Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid; Invalid;	none; none; none; none; none; none; none; none; none;	submit data		62.068	C2 H6 O2	C(CO)...
ODO	A:1515;	Valid;	none;	ic50 = 85.6 uM		167.162	C8 H9 N O3	C/C(=...
NO3	A:1513;	Invalid;	none;	submit data		62.005	N O3	[N+](...

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90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
2XK9	2.35 Å	EC: 2.7.11.1	STRUCTURAL ANALYSIS OF CHECKPOINT KINASE 2 (CHK2) IN COMPLEX INHIBITOR PV1533	HOMO SAPIENS	STRUCTURE-BASED DRUG DESIGN TRANSFERASE
Ref.:	STRUCTURAL CHARACTERIZATION OF INHIBITOR COMPLEXES CHECKPOINT KINASE 2 (CHK2), A DRUG TARGET FOR CANCE THERAPY. J.STRUCT.BIOL. V. 176 292 2011

Members (18)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 133 families.
1	2YCQ	ic50 = 0.14 nM	UPX	C20 H17 N7 O3	C/C(=NNc1[....
2	2W7X	ic50 = 24 nM	D1A	C18 H17 N7 O3	[H]/N=C(N)....
3	4A9U	-	A9U	C27 H28 N4 O2	c1ccc(cc1)....
4	2YCF	ic50 = 0.03 nM	YCF	C19 H24 N10 O3	[H]/N=C(N/....
5	4BDI	ic50 = 227.7 uM	HAU	C14 H19 N3 O2	Cc1ccc(nc1....
6	2YCR	ic50 = 69.6 nM	HCW	C23 H28 N10 O	C/C(=NNC1=....
7	2WTJ	ic50 = 0.7 uM	WTJ	C16 H20 N4 O3 S	CN(C)CCNC(....
8	4BDB	ic50 = 85.6 uM	ODO	C8 H9 N O3	C/C(=NO)/c....
9	2YIT	ic50 = 0.29 nM	YIT	C21 H24 N6 O2	CCC/C(=NNC....
10	2W0J	ic50 = 240 nM	ZAT	C19 H24 N10 O	[H]/N=C(N)....
11	2XK9	ic50 = 0.03 nM	XK9	C18 H17 N7 O4	C/C(=NNC(=....
12	2YCS	ic50 = 1.36 nM	NXP	C18 H18 N6 O	C/C(=NNC(=....
13	2WTI	ic50 = 0.092 uM	WTI	C18 H15 N3 O3 S	c1cc(ccc1c....
14	2YIR	ic50 = 0.17 nM	YIR	C20 H19 N7 O3	[H]/N=C(N)....
15	2XBJ	ic50 = 0.003 uM	XBJ	C23 H27 F N4 O4	CC(C)([C@@....
16	2XM9	ic50 = 0.009 uM	LWH	C21 H20 N6 O	c1ccc2c(c1....
17	2YIQ	ic50 = 12.67 nM	YIQ	C20 H19 N7 O	C/C(=NNC(=....
18	2CN5	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....

70% Homology Family (18)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 101 families.
1	2YCQ	ic50 = 0.14 nM	UPX	C20 H17 N7 O3	C/C(=NNc1[....
2	2W7X	ic50 = 24 nM	D1A	C18 H17 N7 O3	[H]/N=C(N)....
3	4A9U	-	A9U	C27 H28 N4 O2	c1ccc(cc1)....
4	2YCF	ic50 = 0.03 nM	YCF	C19 H24 N10 O3	[H]/N=C(N/....
5	4BDI	ic50 = 227.7 uM	HAU	C14 H19 N3 O2	Cc1ccc(nc1....
6	2YCR	ic50 = 69.6 nM	HCW	C23 H28 N10 O	C/C(=NNC1=....
7	2WTJ	ic50 = 0.7 uM	WTJ	C16 H20 N4 O3 S	CN(C)CCNC(....
8	4BDB	ic50 = 85.6 uM	ODO	C8 H9 N O3	C/C(=NO)/c....
9	2YIT	ic50 = 0.29 nM	YIT	C21 H24 N6 O2	CCC/C(=NNC....
10	2W0J	ic50 = 240 nM	ZAT	C19 H24 N10 O	[H]/N=C(N)....
11	2XK9	ic50 = 0.03 nM	XK9	C18 H17 N7 O4	C/C(=NNC(=....
12	2YCS	ic50 = 1.36 nM	NXP	C18 H18 N6 O	C/C(=NNC(=....
13	2WTI	ic50 = 0.092 uM	WTI	C18 H15 N3 O3 S	c1cc(ccc1c....
14	2YIR	ic50 = 0.17 nM	YIR	C20 H19 N7 O3	[H]/N=C(N)....
15	2XBJ	ic50 = 0.003 uM	XBJ	C23 H27 F N4 O4	CC(C)([C@@....
16	2XM9	ic50 = 0.009 uM	LWH	C21 H20 N6 O	c1ccc2c(c1....
17	2YIQ	ic50 = 12.67 nM	YIQ	C20 H19 N7 O	C/C(=NNC(=....
18	2CN5	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....

50% Homology Family (195)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 70 families.
1	2YM8	ic50 = 0.013 uM	YM8	C19 H19 Cl N6 O	C[C@H](CN(....
2	5OPU	Ki = 0.053 uM	A3K	C15 H12 N4	Cc1cccc(c1....
3	5OP4	Ki = 0.194 uM	A0T	C19 H21 F4 N5 O3	CCNc1c(cnc....
4	2CGW	ic50 = 17.3 uM	3C3	C9 H15 N9 O2	CCCn1c(nc(....
5	3F9N	ic50 = 1.3 uM	38M	C29 H35 Cl N4 O2 S	CCCC[C@@H]....
6	4JIK	ic50 = 0.018 uM	1KO	C18 H19 Cl N6 O	c1cc(ccc1c....
7	4QYH	ic50 = 0.0013 uM	3DX	C22 H20 N6	CN1CCN(CC1....
8	2BRB	Ki = 13.7 uM	PFQ	C20 H17 N3 O2	c1ccc(cc1)....
9	3PA3	ic50 = 1 nM	C70	C18 H18 Cl N5 O S	c1cc(ccc1c....
10	5OQ6	Ki = 0.0277 uM	4K4	C31 H38 N8 O3	CN1CCN(CC1....
11	6FCF	ic50 = 0.006 uM	D58	C20 H22 N4 O S	C[C@@H]1[C....
12	2YER	ic50 = 0.02 uM	TQ1	C15 H12 N4 O2	c1cc([nH]c....
13	2E9O	ic50 = 20 nM	A58	C25 H27 N3 O2	CC1CCC(CC1....
14	5OPB	Ki = 0.0241 uM	A1N	C21 H25 N5 O2	C[C@@H]1CN....
15	2WMQ	-	ZYQ	C9 H11 N3 O2 S	CC(=O)Nc1n....
16	2BRO	ic50 = 1.4 uM	DF2	C21 H20 N4 O2	c1ccc(cc1)....
17	2QHN	ic50 = 980 nM	582	C13 H13 N3 O	CCN1c2cccc....
18	4RVM	ic50 = 1 nM	3X7	C23 H21 N5	c1cc(ccc1C....
19	5DLS	ic50 = 4.4 nM	5CV	C31 H34 N6 O3	CC(C)(CN(C....
20	3TKI	ic50 = 0.05 nM	S25	C20 H23 N7 O2 S	c1cnc(cc1N....
21	2YM5	ic50 = 0.43 uM	YM5	C18 H21 N5 O2	c1cc(cc(c1....
22	4HYH	ic50 = 1 nM	1AM	C22 H22 N6 O3 S	COc1ccc2c(....
23	5OPV	Ki = 0.0515 uM	A3H	C19 H16 N6	Cc1cccc(c1....
24	5OOT	Ki = 0.0285 uM	4K4	C31 H38 N8 O3	CN1CCN(CC1....
25	1NVS	Ki = 15 nM	UCM	C24 H15 N3 O3	c1ccc2c(c1....
26	2YDK	ic50 = 0.007 uM	YDK	C17 H20 N4 O2 S	c1ccc(cc1)....
27	3OT3	ic50 = 0.005 uM	22K	C16 H20 Br N7	Cn1cc(cn1)....
28	2HXQ	ic50 = 144 nM	373	C24 H26 N4 O	c1ccc2c(c1....
29	2QHM	ic50 = 660 nM	7CS	C16 H19 N3 O2	CN1[C@H]2C....
30	2BRH	ic50 = 22.9 uM	DFW	C20 H15 N3 O3	c1ccc(cc1)....
31	2R0U	ic50 = 1 nM	M54	C25 H22 N4 O2	c1cc(cc(c1....
32	1NVR	Ki = 7.8 nM	STU	C28 H26 N4 O3	C[C@@]12[C....
33	3OT8	ic50 = 0.009 uM	MI5	C19 H22 N8 S	Cc1cc(sn1)....
34	2YM4	ic50 = 1.5 uM	4YM	C21 H22 N6 O3	CCOC(=O)c1....
35	4HYI	ic50 = 3 nM	1AO	C21 H20 N6 O S	c1ccc2c(c1....
36	4RVL	ic50 = 41.7 nM	3XL	C17 H10 N4 O	c1ccc(c(c1....
37	5JQ5	Kd = 2341 nM	I74	C22 H30 N6 O	CC(C)c1cnn....
38	2C6O	-	4SP	C18 H22 N6 O3 S	c1cc(ccc1N....
39	1V1K	ic50 = 35 uM	3FP	C22 H23 F4 N5 O2	CN(C)C[C@H....
40	2VTJ	ic50 = 1.9 uM	LZ4	C10 H9 Cl N4 O2 S	c1cc(ccc1N....
41	3EZV	-	EZV	C25 H25 N7	CN1CCN(CC1....
42	3PXZ	Kd = 37 uM	2AN	C16 H13 N O3 S	c1ccc(cc1)....
43	1W0X	-	OLO	C15 H18 N6 O	Cn1cnc2c1n....
44	2XMY	Ki = 0.11 nM	CDK	C18 H21 N5 O4 S2	CC1=C(SC(=....
45	2UZO	ic50 = 27 uM	C62	C14 H10 N2 O5 S2	c1cc(ccc1c....
46	1KE7	ic50 = 8.9 nM	LS3	C20 H15 N3 O4 S	c1cc2c(cc1....
47	1DM2	-	HMD	C11 H10 Br N5 O2	C1CNC(=O)C....
48	1DI8	ic50 = 1 uM	DTQ	C16 H15 N3 O3	COc1cc2c(c....
49	5JQ8	-	I73	C22 H30 N6 O	CC(C)c1cnn....
50	6Q4H	-	HGH	C13 H11 N5 O3	c1cc(cc(c1....
51	1GIJ	-	2PU	C19 H22 N6 O2	c1cc2c(c(c....
52	2R3P	ic50 = 900 nM	3SC	C19 H12 Cl2 N6 S	c1cc(c(c(c....
53	1KE8	ic50 = 1000 nM	LS4	C18 H14 N4 O3 S2	c1ccc2c(c1....
54	2C6I	ic50 = 11 uM	DT1	C18 H22 N6 O3 S	c1cc(ccc1N....
55	1PXP	Ki = 0.22 uM	CK8	C17 H19 N5 S	Cc1c(sc(n1....
56	6Q3C	-	BYZ	C3 H3 Br N2	c1c(cn[nH]....
57	2UZN	ic50 = 0.03 uM	C96	C15 H13 N3 O4 S2	[H]/N=C/1N....
58	2B55	ic50 = 96 nM	D31	C24 H31 N5 O2	c1cc-2c(c(....
59	5K4J	-	6QB	C21 H18 Cl F N6 O2	Cn1c(ccn1)....
60	3PJ8	-	404	C19 H26 N6 O	CC[C@H](CO....
61	3LFQ	-	A28	C17 H15 F2 N3 O	CCCC(=O)Nc....
62	2W05	ic50 = 0.001 uM	FRT	C20 H26 N6 O3 S	Cc1ncc(n1C....
63	2XNB	Ki = 149 nM	Y8L	C19 H22 N6 O S	CC1=C(SC(=....
64	1HCK	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
65	5IEX	-	6AF	C17 H21 Br N4 O3 S	C[C@H]([C@....
66	2R3H	ic50 = 20000 nM	SCE	C13 H13 N5	Cc1cnc2n1c....
67	5LI9	-	ACP	C11 H18 N5 O12 P3	c1nc(c2c(n....
68	3A8W	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
69	3OWL	ic50 = 0.67 uM	19E	C16 H11 Cl N2 O	Cc1cnc(c2c....
70	5OYF	-	B4Q	C25 H27 N3	CCc1ccccc1....
71	5H8G	Kd = 48.2 pM	5Y4	C23 H29 N9 O	CC(=O)Nc1c....
72	5OS7	-	A8Q	C16 H19 Cl N	CC(C)c1ccc....
73	6YPJ	-	P5W	C16 H12 N2 O2 S	c1ccc(cc1)....
74	5OTZ	Kd = 6.5 uM	AUT	C15 H15 Cl2 N	CCc1ccccc1....
75	6HOQ	-	FER	C10 H10 O4	COc1cc(ccc....
76	5OUM	-	AVK	C18 H18 Cl N3	c1ccc(cc1)....
77	5B0X	ic50 = 0.02 uM	HCK	C18 H14 N2 O4 S	COc1ccc(cc....
78	5MO8	Kd = 1.64 uM	C98	C26 H26 Cl N3 O4	c1ccc(cc1)....
79	6RCB	ic50 = 0.33 uM	JYZ	C17 H14 N2 O4	COc1cc(ccc....
80	3R1N	-	05B	C22 H21 N5 O3	c1cc2c(cc1....
81	3BWJ	Kd = 0.319 uM	ARX	C28 H47 N15 O7	[H]/N=C(N)....
82	6SPS	-	LR5	C8 H6 F3 N O	c1cc(ccc1C....
83	6SPM	-	3AE	C8 H5 F3 O2	c1cc(ccc1C....
84	3AGL	Ki = 16 nM	A03	C37 H63 N17 O9	[H]/N=C(N)....
85	6SNX	-	UNU	C7 H7 N O	c1ccc(cc1)....
86	6ZN0	-	NTN	C6 H7 N3	c1cnccc1C(....
87	6SNN	-	BEZ	C7 H6 O2	c1ccc(cc1)....
88	1RE8	Ki = 0.3 nM	BD2	C27 H26 N2 O6	c1ccc(c(c1....
89	1SZM	ic50 = 2.94 uM	BI4	C27 H26 N4 O2	C[N@]1CCC[....
90	1REJ	Ki = 5 nM	B1L	C20 H22 N2 O5	c1cc(ccc1C....
91	6SPY	-	LR8	C10 H13 N3 O2	c1cc(ncc1C....
92	6Z08	-	NPO	C6 H5 N O3	c1cc(ccc1[....
93	2Z7Q	-	ACP	C11 H18 N5 O12 P3	c1nc(c2c(n....
94	1MQ4	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
95	6C2R	Ki = 0.8 nM	EG7	C24 H26 Cl F2 N5 O2	Cc1cc(n[nH....
96	5EW9	Ki < 0.01 nM	5VC	C22 H21 Cl F N3 O3 S	c1cc(nc(c1....
97	5ORY	Kd = 357 uM	AY4	C9 H6 F2 N2 O	c1c[nH]nc1....
98	4CEG	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
99	6VPH	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
100	5ORV	Kd = 1297 uM	A65	C6 H9 N O S3	CSc1c(c(sn....
101	5OS6	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
102	3DJ6	-	AK6	C25 H24 N4 O3 S	COc1ccc(cc....
103	5OSF	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
104	2WQE	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
105	6CPF	-	ACP	C11 H18 N5 O12 P3	c1nc(c2c(n....
106	6R4C	-	JRQ	C16 H22 N2 O3	CCOC(=O)C[....
107	3FDN	ic50 = 0.033 uM	MMH	C21 H22 N6 O3	Cc1c(c([nH....
108	5OOI	-	9YE	C23 H25 N O3	CC(C)n1c2c....
109	7A1Z	ic50 = 3.38 uM	QWN	C5 H2 Br Cl N4	c1c2c(nc(c....
110	3KXH	-	K66	C11 H9 Br4 N3 O2	CN(C)c1nc2....
111	4DGM	ic50 = 1.2 uM	AGI	C15 H10 O5	c1cc(ccc1C....
112	3PVG	-	K68	C9 H4 Br4 N2 O2	c1nc2c(n1C....
113	1ZOG	Ki = 0.07 uM	K37	C8 H4 Br4 N2 S	CSc1[nH]c2....
114	2PVJ	Ki = 0.005 uM	P44	C19 H21 N7	c1ccc(cc1)....
115	1P4F	-	DRG	C12 H11 N3	c1ccc-2c(c....
116	4TXC	Kd = 0.24 uM	38G	C24 H27 N5 O3	CN(C)CCN[C....
117	2YAK	ic50 = 2 nM	OSV	C27 H31 F N4 O3 Ru S4	CC(C)Oc1cc....
118	5AUY	ic50 = 1.6 uM	MRI	C15 H10 O7	c1cc(c(cc1....
119	2HY0	ic50 = 0.65 nM	306	C26 H25 N5 O	c1cc2c(cc1....
120	5LVO	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
121	4XX9	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
122	2XCK	ic50 = 713 nM	MH4	C29 H33 N9 O	Cc1cc(ccn1....
123	3QD4	ic50 = 6.31 nM	3Q6	C22 H30 N8 O2	C[C@@H]1C[....
124	3RCJ	ic50 = 0.8 uM	3RC	C16 H13 N5	c1ccc(cc1)....
125	2PE0	-	39Z	C14 H12 N2 O2	CC(c1ccc[n....
126	4CT2	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
127	5ACK	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
128	3HRC	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
129	5LVM	-	ADE	C5 H5 N5	c1[nH]c2c(....
130	5MRD	ic50 = 36.4 uM	S26	C18 H13 Cl N2 O4 S2	CCOC(=O)C1....
131	3ION	ic50 = 8 nM	8H1	C28 H27 N5 O3	COc1cc2c3c....
132	1UU7	ic50 = 14 uM	BI2	C27 H26 N4 O2	C[N@@]1CCC....
133	3HRF	Kd = 10.3 uM	P47	C17 H15 Cl O2	c1ccc(cc1)....
134	3QCS	ic50 = 0.316 uM	3Q1	C15 H17 N7 O	c1cc2c(cc1....
135	1H1W	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
136	4AW1	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
137	2PE2	-	464	C28 H30 N6 O3	c1cc(cc(c1....
138	3H9O	ic50 = 70 nM	9BD	C19 H19 N5 O3	COCCOc1cc2....
139	3QD3	ic50 = 0.00000001 M	3Q5	C22 H30 N8 O2	C[C@H]1CC[....
140	1OKY	ic50 = 6.5 nM	STU	C28 H26 N4 O3	C[C@@]12[C....
141	3IOP	ic50 = 17 nM	8I1	C28 H27 N5 O3	COc1cc2c3c....
142	2PE1	ic50 = 6 nM	517	C15 H14 N4 O2	CC(c1ccc[n....
143	3RWP	Ki = 0.6 nM	ABQ	C24 H24 F N7 O2	CC(C)n1cc(....
144	3NAX	-	MP7	C28 H22 F2 N4 O4	c1ccc(cc1)....
145	3QCQ	ic50 = 0.158 uM	3Q0	C13 H15 N7	CCNc1cc(nc....
146	4A06	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
147	2R5T	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
148	2JDO	ic50 = 0.23 uM	I5S	C20 H22 Cl N3 O3 S	c1cc2cnccc....
149	1O6K	-	GLY ARG PRO ARG THR THR SER PHE ALA GLU	n/a	n/a
150	3E88	Ki = 2 nM	G96	C24 H27 N7 O3	CCn1c2cc(n....
151	2UW9	-	GVP	C20 H20 Cl N3	c1cc(ccc1c....
152	2JDR	ic50 = 0.5 nM	L20	C24 H23 N5 O	Cc1c2cc(cc....
153	3D0E	ic50 = 13 nM	G93	C21 H27 N7 O3	CCn1c2c(cn....
154	3UBD	Kd = 2.9 uM	SL0	C25 H24 O12	CC1C(C(C(C....
155	4GUE	Kd = 5.8 uM	QCT	C21 H20 O11	C[C@H]1[C@....
156	3G51	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
157	4NUS	ic50 = 0.005 uM	2NK	C22 H21 F2 N3 O	CN1CCN(CC1....
158	4NW6	ic50 = 0.004 uM	2NS	C23 H20 N4 O4	COc1cc(cc(....
159	4NW5	ic50 = 0.02 uM	2NR	C23 H21 F N2 O5	COc1cccc(c....
160	2W7X	ic50 = 24 nM	D1A	C18 H17 N7 O3	[H]/N=C(N)....
161	4A9U	-	A9U	C27 H28 N4 O2	c1ccc(cc1)....
162	2YCF	ic50 = 0.03 nM	YCF	C19 H24 N10 O3	[H]/N=C(N/....
163	4BDI	ic50 = 227.7 uM	HAU	C14 H19 N3 O2	Cc1ccc(nc1....
164	2YCR	ic50 = 69.6 nM	HCW	C23 H28 N10 O	C/C(=NNC1=....
165	2WTJ	ic50 = 0.7 uM	WTJ	C16 H20 N4 O3 S	CN(C)CCNC(....
166	4BDB	ic50 = 85.6 uM	ODO	C8 H9 N O3	C/C(=NO)/c....
167	2YIT	ic50 = 0.29 nM	YIT	C21 H24 N6 O2	CCC/C(=NNC....
168	2W0J	ic50 = 240 nM	ZAT	C19 H24 N10 O	[H]/N=C(N)....
169	6CCY	ic50 = 0.003 uM	EX4	C29 H33 F4 N7 O	C[C@@H]1CC....
170	3QKK	-	SMH	C28 H38 N2 O7 S	CCOCCN(C[C....
171	6NPZ	-	GLY ARG PRO ARG THR THR ZXW PHE ALA GLU	n/a	n/a
172	4EKL	ic50 = 5 nM	0RF	C24 H32 Cl N5 O2	C[C@@H]1C[....
173	3CQW	ic50 = 42 nM	CQW	C12 H11 Cl N6	c1c(c2c([n....
174	4GV1	ic50 = 3 nM	0XZ	C21 H25 Cl N6 O2	c1cc(ccc1[....
175	3MVH	ic50 = 0.5 nM	WFE	C20 H22 F2 N6 O	CCc1c[nH]c....
176	3MV5	ic50 = 180 nM	XFE	C11 H15 N5	Cc1c[nH]c2....
177	3QKL	-	SMR	C29 H40 N4 O5 S	CCOCC[N@@]....
178	5OTF	-	AQ5	C20 H24 N6	c1cnc2c(c1....
179	3TKU	ic50 = 1.92 uM	M77	C14 H17 N3 O2 S	c1cc2cnccc....
180	3V8S	ic50 = 0.65 uM	0HD	C16 H16 N4 O	c1ccc(cc1)....
181	4OTH	ic50 = 9 nM	DRN	C25 H23 N5 O2 S	[H]/N=C(/N....
182	3A62	-	STU	C28 H26 N4 O3	C[C@@]12[C....
183	3WF9	ic50 = 567 nM	FS7	C24 H25 N3 O5 S	C[C@H]1CCc....
184	3WF8	ic50 = 232 nM	F76	C23 H23 N3 O5 S	c1ccc2c(c1....
185	4L3L	-	5FI	C19 H21 F3 N6	CCc1cncnc1....
186	3WE4	ic50 = 15 nM	5FI	C19 H21 F3 N6	CCc1cncnc1....
187	3WF5	ic50 = 81 nM	FZ8	C17 H17 N7	c1ccc2c(c1....
188	2F2U	-	M77	C14 H17 N3 O2 S	c1cc2cnccc....
189	6C0T	ic50 = 43.1 nM	EE4	C30 H30 F N5 O5	CCCOc1ccc(....
190	6BXI	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
191	5F9E	ic50 = 0.46 nM	5VS	C23 H21 N5 O2	CC1(NC(=O)....
192	1XJD	Ki = 0.33 nM	STU	C28 H26 N4 O3	C[C@@]12[C....
193	3TXO	ic50 = 9 nM	07U	C17 H19 N5	CC(C)(CNc1....
194	1V0P	ic50 = 0.13 uM	PVB	C20 H25 Cl N6 O3	CC(C)[C@H]....
195	1V0O	ic50 = 5.5 uM	INR	C16 H10 N2 O5 S	c1ccc2c(c1....

Polypharmacology

Similar Ligands (2D)

Ligand no: 1; Ligand: ODO; Similar ligands found: 2

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	ODO	1	1
2	TQL	0.46	0.763158

Similar Ligands (3D)

Ligand no: 1; Ligand: ODO; Similar ligands found: 1310

No:	Ligand	Similarity coefficient
1	MS9	0.9932
2	2FY	0.9822
3	FA0	0.9701
4	BHA	0.9681
5	5CU	0.9664
6	4M0	0.9664
7	DOB	0.9642
8	HDH	0.9639
9	5NU	0.9627
10	OTR	0.9601
11	CWJ	0.9552
12	5OB	0.9539
13	94W	0.9533
14	ES2	0.9527
15	VGD	0.9525
16	PHB	0.9522
17	2ZM	0.9516
18	IPB	0.9506
19	T9G	0.9500
20	QBK	0.9498
21	4TU	0.9498
22	ET2	0.9496
23	36R	0.9492
24	1P8	0.9491
25	IV2	0.9489
26	CLW	0.9487
27	3A9	0.9487
28	1F1	0.9482
29	NPO	0.9477
30	HBD	0.9475
31	JA8	0.9471
32	4FA	0.9471
33	PAB	0.9470
34	97T	0.9466
35	0HO	0.9463
36	ABI	0.9463
37	PBZ	0.9463
38	HHH	0.9462
39	5RN	0.9458
40	GZQ	0.9453
41	BTY	0.9451
42	HMH	0.9451
43	6NI	0.9450
44	6NT	0.9446
45	BZ3	0.9444
46	1Y6	0.9442
47	LNR	0.9442
48	TYL	0.9440
49	XAZ	0.9439
50	5NI	0.9438
51	FBB	0.9437
52	75K	0.9436
53	3NY	0.9436
54	52C	0.9436
55	EA1	0.9435
56	E7Z	0.9434
57	JAW	0.9432
58	2HU	0.9430
59	K2T	0.9428
60	I3A	0.9427
61	0HN	0.9426
62	ICO	0.9426
63	5VM	0.9424
64	FUD	0.9423
65	4P5	0.9423
66	URC	0.9422
67	SHA	0.9417
68	5JQ	0.9415
69	92P	0.9414
70	HC4	0.9411
71	N2Z	0.9409
72	5XC	0.9407
73	4AA	0.9405
74	SYV	0.9401
75	KJU	0.9400
76	5GU	0.9400
77	7HQ	0.9398
78	8TX	0.9391
79	6VD	0.9390
80	DHR	0.9389
81	B55	0.9388
82	ANN	0.9386
83	DHB	0.9383
84	4JQ	0.9383
85	C2Y	0.9381
86	4Z4	0.9380
87	YRL	0.9377
88	M0W	0.9376
89	4MA	0.9376
90	PNZ	0.9376
91	4YO	0.9374
92	HMU	0.9373
93	03V	0.9371
94	5JL	0.9370
95	ES5	0.9369
96	TTL	0.9369
97	COU	0.9368
98	MSR	0.9367
99	9R5	0.9366
100	MR1	0.9366
101	BCU	0.9365
102	JDN	0.9365
103	826	0.9362
104	P72	0.9362
105	OCH	0.9361
106	JB8	0.9359
107	4FS	0.9359
108	2HQ	0.9358
109	CPZ	0.9358
110	93K	0.9357
111	HLZ	0.9355
112	2AQ	0.9354
113	I3E	0.9354
114	7VS	0.9352
115	SW7	0.9350
116	2LY	0.9349
117	F9Y	0.9347
118	8WO	0.9342
119	AEF	0.9341
120	9FL	0.9340
121	F4E	0.9339
122	INO	0.9338
123	BHO	0.9338
124	BK9	0.9334
125	4NC	0.9334
126	15N	0.9332
127	8H8	0.9332
128	PRF	0.9332
129	86J	0.9330
130	LZM	0.9328
131	9CA	0.9328
132	H42	0.9328
133	FYU	0.9327
134	174	0.9326
135	6RQ	0.9326
136	D48	0.9324
137	OW4	0.9324
138	P9P	0.9324
139	GCU	0.9324
140	FP1	0.9323
141	PZI	0.9322
142	NNO	0.9321
143	8ZE	0.9321
144	J9W	0.9318
145	BGC	0.9318
146	M0Q	0.9317
147	NIZ	0.9317
148	NID	0.9315
149	Z82	0.9315
150	2BG	0.9314
151	N2I	0.9314
152	1IT	0.9312
153	NSP	0.9312
154	261	0.9311
155	ISZ	0.9310
156	MQN	0.9310
157	PEY	0.9310
158	AC6	0.9310
159	BE2	0.9309
160	3MB	0.9309
161	CFI	0.9309
162	L99	0.9309
163	J9Q	0.9308
164	J5I	0.9307
165	4HC	0.9307
166	9TW	0.9307
167	KDV	0.9306
168	I1E	0.9306
169	SAL	0.9305
170	7W1	0.9304
171	S24	0.9304
172	42A	0.9302
173	SN4	0.9302
174	NFM	0.9301
175	PRZ	0.9301
176	G3E	0.9300
177	SE2	0.9299
178	6KT	0.9298
179	92K	0.9296
180	TGX	0.9296
181	AMH	0.9293
182	3PF	0.9292
183	E1T	0.9291
184	AJ2	0.9290
185	APS	0.9288
186	KP6	0.9288
187	OVM	0.9287
188	KJH	0.9285
189	DHY	0.9284
190	XQ0	0.9283
191	M6N	0.9283
192	5QX	0.9283
193	HQD	0.9282
194	SNU	0.9282
195	12Q	0.9280
196	Q24	0.9280
197	AQO	0.9280
198	5QY	0.9278
199	TIU	0.9278
200	9ZE	0.9278
201	LDP	0.9275
202	AZ8	0.9274
203	4BZ	0.9274
204	24B	0.9273
205	Z5P	0.9272
206	R9S	0.9272
207	TH7	0.9270
208	MEW	0.9270
209	INE	0.9268
210	2HO	0.9266
211	DIN	0.9265
212	3SK	0.9265
213	M5K	0.9264
214	M2K	0.9264
215	BDP	0.9264
216	4SV	0.9263
217	CH9	0.9263
218	BZ2	0.9263
219	JKE	0.9262
220	JB5	0.9260
221	AZ9	0.9260
222	NQ	0.9259
223	B62	0.9259
224	8IG	0.9256
225	TSS	0.9255
226	CTL	0.9253
227	3U4	0.9252
228	5RO	0.9251
229	M1Q	0.9250
230	M1E	0.9249
231	BPN	0.9249
232	A7W	0.9248
233	1A7	0.9248
234	RXA	0.9246
235	XIY	0.9246
236	ES6	0.9245
237	0JD	0.9243
238	ZZT	0.9243
239	B57	0.9242
240	4NM	0.9240
241	0LH	0.9238
242	VK3	0.9238
243	A7H	0.9238
244	XX2	0.9237
245	535	0.9237
246	FHB	0.9236
247	YH7	0.9236
248	FBM	0.9233
249	3HM	0.9232
250	DQU	0.9232
251	PDC	0.9229
252	3ID	0.9228
253	GZL	0.9227
254	PE0	0.9226
255	NDH	0.9226
256	KYA	0.9225
257	2AK	0.9224
258	JBE	0.9223
259	E5X	0.9222
260	4A3	0.9221
261	JAE	0.9221
262	67N	0.9221
263	ESX	0.9221
264	0N7	0.9219
265	2AL	0.9218
266	JLZ	0.9217
267	FDR	0.9216
268	1KP	0.9216
269	36Y	0.9216
270	HHT	0.9216
271	OTW	0.9214
272	4ZA	0.9214
273	TTY	0.9214
274	CN0	0.9214
275	1WC	0.9211
276	GJP	0.9210
277	JRB	0.9210
278	1AL	0.9209
279	DMD	0.9209
280	CWS	0.9207
281	9DG	0.9207
282	A5E	0.9205
283	2FQ	0.9203
284	XAN	0.9203
285	XHP	0.9202
286	TZF	0.9202
287	PJW	0.9202
288	F60	0.9201
289	259	0.9200
290	4WL	0.9199
291	ICB	0.9199
292	2LP	0.9197
293	ASO	0.9197
294	C1M	0.9196
295	VNJ	0.9196
296	NVU	0.9195
297	YPN	0.9194
298	NOJ	0.9194
299	PD2	0.9193
300	MYJ	0.9192
301	FDB	0.9192
302	0TU	0.9192
303	MRW	0.9192
304	MUA	0.9191
305	GDE	0.9191
306	N8Y	0.9189
307	2KA	0.9189
308	6ME	0.9188
309	3DM	0.9188
310	44V	0.9188
311	7MU	0.9186
312	KUF	0.9185
313	1QP	0.9185
314	TSR	0.9184
315	ONR	0.9184
316	2K4	0.9184
317	PQ0	0.9184
318	R8S	0.9182
319	HA7	0.9181
320	1XM	0.9180
321	CFA	0.9180
322	4MU	0.9179
323	7ME	0.9179
324	5MI	0.9177
325	HBA	0.9177
326	4J8	0.9175
327	TSU	0.9174
328	4SX	0.9174
329	717	0.9174
330	SKM	0.9173
331	173	0.9173
332	GUN	0.9173
333	6FZ	0.9173
334	5H1	0.9172
335	HQT	0.9172
336	EN1	0.9172
337	J6W	0.9170
338	1M2	0.9169
339	OQC	0.9169
340	14O	0.9168
341	RM1	0.9168
342	141	0.9167
343	11S	0.9167
344	4ME	0.9166
345	DHK	0.9166
346	DBJ	0.9165
347	1HN	0.9165
348	A29	0.9164
349	0F9	0.9164
350	0P6	0.9161
351	8G0	0.9161
352	8CM	0.9160
353	7WV	0.9158
354	CLZ	0.9158
355	6AI	0.9155
356	DRG	0.9155
357	SAN	0.9155
358	1WD	0.9154
359	AZA	0.9153
360	FK1	0.9153
361	CHB	0.9153
362	7MX	0.9151
363	DRL	0.9151
364	SKA	0.9151
365	4RU	0.9151
366	H4N	0.9150
367	BEA	0.9150
368	F4K	0.9150
369	54G	0.9149
370	IP0	0.9149
371	3HA	0.9148
372	DIE	0.9147
373	IHB	0.9146
374	4VY	0.9146
375	5MB	0.9145
376	PFL	0.9145
377	M1H	0.9144
378	ES9	0.9141
379	QPR	0.9141
380	JZ4	0.9140
381	57O	0.9140
382	OW7	0.9139
383	6AP	0.9139
384	B53	0.9139
385	M4E	0.9138
386	X0V	0.9138
387	PXL	0.9138
388	5M0	0.9137
389	44W	0.9137
390	HNH	0.9136
391	6M9	0.9134
392	RBL	0.9133
393	GJZ	0.9133
394	GLC	0.9133
395	GTQ	0.9132
396	8OZ	0.9132
397	MAJ	0.9131
398	A2F	0.9130
399	BZX	0.9129
400	HNK	0.9128
401	GVG	0.9128
402	BOA	0.9127
403	0FO	0.9127
404	3R6	0.9127
405	PH2	0.9127
406	4I8	0.9127
407	UNJ	0.9127
408	PHU	0.9126
409	MVN	0.9126
410	AEG	0.9126
411	F9P	0.9126
412	23J	0.9125
413	FCR	0.9125
414	M1A	0.9124
415	XQG	0.9124
416	KOJ	0.9124
417	4HP	0.9123
418	FE DB1	0.9122
419	PH3	0.9121
420	EVA	0.9121
421	2F6	0.9120
422	MQB	0.9120
423	VNL	0.9119
424	XUL	0.9118
425	IFL	0.9118
426	4HM	0.9118
427	AZG	0.9118
428	82I	0.9117
429	ROR	0.9117
430	2A9	0.9116
431	0FN	0.9116
432	5RG	0.9115
433	AMS	0.9115
434	AA	0.9114
435	RNS	0.9112
436	42J	0.9111
437	ASC	0.9110
438	MNM	0.9109
439	MO8	0.9109
440	QWN	0.9108
441	Q6T	0.9106
442	27B	0.9106
443	XM0	0.9106
444	4JT	0.9105
445	OMD	0.9105
446	G3F	0.9104
447	E7S	0.9100
448	1P7	0.9100
449	KMY	0.9100
450	IAC	0.9099
451	37T	0.9098
452	RAT	0.9097
453	FBS	0.9097
454	OVP	0.9095
455	M5H	0.9095
456	6GU	0.9095
457	3OC	0.9094
458	7B4	0.9091
459	5WY	0.9090
460	THA	0.9090
461	5WV	0.9090
462	DNF	0.9090
463	8NY	0.9090
464	7ZE	0.9089
465	QX4	0.9089
466	UAN	0.9088
467	069	0.9087
468	5MK	0.9086
469	BSX	0.9085
470	NAG	0.9083
471	9TZ	0.9082
472	2BX	0.9082
473	AAS	0.9081
474	ANF	0.9079
475	86L	0.9079
476	92G	0.9079
477	LCN	0.9078
478	7N0	0.9077
479	15E	0.9077
480	PHE	0.9077
481	2HC	0.9076
482	PRY	0.9076
483	QXW	0.9075
484	RD4	0.9075
485	FBV	0.9075
486	SNO	0.9074
487	DBH	0.9074
488	C2B	0.9074
489	ADA	0.9073
490	0CU	0.9072
491	IGA	0.9072
492	30G	0.9072
493	BZJ	0.9072
494	2ZQ	0.9071
495	H4E	0.9069
496	HNL	0.9068
497	3DO	0.9067
498	1DW	0.9067
499	5LA	0.9067
500	RNT	0.9066
501	GAB	0.9066
502	QSB	0.9066
503	15L	0.9066
504	4JM	0.9066
505	L14	0.9066
506	PZM	0.9064
507	49O	0.9064
508	GCS	0.9064
509	6M4	0.9063
510	9FE	0.9063
511	PBA	0.9062
512	F1A	0.9061
513	SOE	0.9060
514	AL0	0.9058
515	FEH	0.9058
516	KIB	0.9057
517	KIA	0.9057
518	JU2	0.9057
519	EYV	0.9057
520	DS0	0.9056
521	4NB	0.9056
522	SMN	0.9056
523	GCB	0.9056
524	GAL	0.9055
525	K82	0.9054
526	TT4	0.9053
527	2D0	0.9052
528	DEW	0.9052
529	7VP	0.9052
530	5B1	0.9051
531	42C	0.9051
532	EKZ	0.9051
533	FQI	0.9051
534	KT7	0.9050
535	F69	0.9050
536	SVN	0.9049
537	DX4	0.9048
538	4FH	0.9048
539	SX1	0.9047
540	KKN	0.9046
541	DE5	0.9046
542	GTR	0.9045
543	DDU	0.9044
544	4VP	0.9044
545	KTJ	0.9044
546	3C4	0.9043
547	ZXD	0.9042
548	1LN	0.9041
549	12T	0.9040
550	N3W	0.9040
551	NSG	0.9039
552	GNL	0.9039
553	ABV	0.9038
554	8W9	0.9038
555	6M1	0.9037
556	LPK	0.9037
557	HHR	0.9037
558	5XB	0.9037
559	GRE	0.9035
560	3F0	0.9035
561	F52	0.9035
562	ES7	0.9034
563	E1P	0.9034
564	LQ2	0.9034
565	RBJ	0.9033
566	AJV	0.9032
567	HQJ	0.9032
568	209	0.9031
569	4XR	0.9031
570	SBK	0.9030
571	3M0	0.9030
572	HDL	0.9029
573	HHA	0.9029
574	HA5	0.9028
575	GLO	0.9027
576	RNO	0.9026
577	PSJ	0.9026
578	0RW	0.9026
579	FB1	0.9026
580	1NP	0.9025
581	CFP	0.9025
582	M4S	0.9025
583	MPK	0.9024
584	F12	0.9023
585	3BU	0.9023
586	ISN	0.9023
587	428	0.9023
588	290	0.9023
589	LYL	0.9021
590	7FF	0.9021
591	DYA	0.9021
592	QUS	0.9019
593	J9N	0.9019
594	BCP	0.9019
595	BNL	0.9019
596	B2Y	0.9019
597	4BL	0.9018
598	4KL	0.9018
599	OVV	0.9018
600	ALE	0.9017
601	XDE	0.9017
602	7NI	0.9016
603	PYQ	0.9016
604	BNF	0.9016
605	0FK	0.9015
606	NCT	0.9011
607	ZYR	0.9010
608	39O	0.9010
609	2QC	0.9010
610	PKU	0.9009
611	AN3	0.9009
612	TAG	0.9009
613	F05	0.9006
614	X0U	0.9006
615	3AB	0.9004
616	GF4	0.9004
617	680	0.9003
618	FGZ	0.9003
619	3NT	0.9002
620	5NE	0.9002
621	ESP	0.9002
622	SRO	0.9001
623	4BY	0.9001
624	2EC	0.9001
625	2MI	0.8999
626	OGA	0.8999
627	BEZ	0.8997
628	AJY	0.8996
629	PXM	0.8996
630	PAC	0.8995
631	IFP	0.8994
632	I6G	0.8993
633	6F0	0.8993
634	K22	0.8993
635	3HB	0.8992
636	MNN	0.8992
637	NOY	0.8992
638	KJY	0.8992
639	BEN	0.8991
640	JBK	0.8991
641	270	0.8991
642	7W4	0.8991
643	F31	0.8990
644	OHP	0.8989
645	HIO	0.8989
646	1DJ	0.8989
647	CWM	0.8989
648	MXN	0.8989
649	KBZ	0.8989
650	3Z8	0.8988
651	CKA	0.8987
652	5WZ	0.8987
653	IWT	0.8987
654	VXX	0.8986
655	TOF	0.8986
656	JTH	0.8986
657	8S0	0.8986
658	ES0	0.8985
659	AX7	0.8985
660	61M	0.8984
661	HX3	0.8984
662	DEE	0.8983
663	PPT	0.8982
664	NGA	0.8982
665	0BP	0.8981
666	36E	0.8980
667	EPR	0.8980
668	36M	0.8979
669	3BZ	0.8979
670	ALL	0.8979
671	AHR	0.8979
672	GUA	0.8979
673	BAM	0.8978
674	PIM	0.8976
675	4JC	0.8976
676	54Z	0.8975
677	ADZ	0.8975
678	XYL	0.8973
679	8HC	0.8973
680	GV9	0.8973
681	RB5	0.8973
682	WCE	0.8973
683	TWO	0.8972
684	23A	0.8972
685	LGC	0.8972
686	1L5	0.8972
687	1LQ	0.8971
688	60Q	0.8971
689	ESI	0.8971
690	M3H	0.8970
691	QBS	0.8970
692	NCA	0.8968
693	AKG	0.8968
694	46P	0.8967
695	3QV	0.8966
696	H5B	0.8965
697	PQK	0.8965
698	FBA	0.8965
699	X0W	0.8964
700	CTS	0.8964
701	LT2	0.8964
702	5HN	0.8963
703	Q88	0.8963
704	R9Y	0.8961
705	K32	0.8961
706	3ZB	0.8961
707	EV0	0.8960
708	PIY	0.8960
709	RUY	0.8959
710	N5J	0.8958
711	EOL	0.8958
712	3IT	0.8957
713	TYE	0.8956
714	4JL	0.8956
715	4AV	0.8955
716	D07	0.8955
717	G2F	0.8955
718	TLA	0.8955
719	HLR	0.8954
720	3R4	0.8954
721	QSH	0.8954
722	NIO	0.8953
723	PBC	0.8951
724	CXF	0.8951
725	GYE	0.8951
726	9EW	0.8950
727	HIS	0.8950
728	9MG	0.8950
729	FTV	0.8950
730	JPZ	0.8948
731	1SQ	0.8948
732	JND	0.8948
733	RHU	0.8948
734	53C	0.8948
735	UNU	0.8947
736	W81	0.8947
737	SAF	0.8947
738	GOJ	0.8944
739	505	0.8944
740	TYR	0.8944
741	7WG	0.8944
742	JF6	0.8944
743	REL	0.8942
744	FHC	0.8942
745	8MO	0.8942
746	S0E	0.8941
747	MAQ	0.8940
748	DJN	0.8939
749	FLC	0.8939
750	P9E	0.8937
751	268	0.8936
752	V55	0.8936
753	H33	0.8936
754	APZ	0.8936
755	G5V	0.8934
756	CIT	0.8934
757	UEG	0.8934
758	B60	0.8933
759	2ZV	0.8933
760	AKH	0.8933
761	6PC	0.8933
762	8XL	0.8933
763	PZA	0.8933
764	FAN	0.8932
765	9UL	0.8931
766	DGJ	0.8931
767	L13	0.8930
768	2CL	0.8929
769	NGT	0.8928
770	GXY	0.8927
771	NLA	0.8925
772	NTN	0.8924
773	OA3	0.8923
774	MLT	0.8923
775	FA1	0.8923
776	LT8	0.8922
777	VOH	0.8921
778	DHC	0.8921
779	LDR	0.8920
780	F81	0.8920
781	CEE	0.8920
782	9AP	0.8919
783	PO6	0.8918
784	5WX	0.8918
785	AAN	0.8918
786	H62	0.8916
787	X05	0.8916
788	4XV	0.8916
789	SRT	0.8916
790	PQZ	0.8915
791	SYA	0.8915
792	JG8	0.8914
793	6TZ	0.8914
794	GLA	0.8914
795	OAA	0.8914
796	Q02	0.8914
797	8NX	0.8913
798	GO2	0.8913
799	DFB	0.8913
800	BPY	0.8912
801	DNA	0.8912
802	K34	0.8912
803	IOS	0.8911
804	JZ3	0.8911
805	BRT	0.8909
806	4XS	0.8909
807	ASP	0.8909
808	5IQ	0.8907
809	L5V	0.8907
810	PEL	0.8907
811	9KT	0.8906
812	M4T	0.8906
813	5WU	0.8906
814	OK7	0.8905
815	BPW	0.8905
816	QY9	0.8905
817	1XA	0.8905
818	4XH	0.8903
819	2CK	0.8903
820	A7N	0.8902
821	7B3	0.8902
822	FBT	0.8902
823	S7J	0.8902
824	LI6	0.8900
825	DBX	0.8900
826	2HG	0.8900
827	C53	0.8899
828	R20	0.8898
829	AC0	0.8897
830	PPY	0.8897
831	449	0.8896
832	PEA	0.8895
833	3FH	0.8894
834	NBZ	0.8894
835	GRO	0.8892
836	SOR	0.8892
837	DVQ	0.8892
838	ST3	0.8891
839	TXW	0.8891
840	BE7	0.8890
841	226	0.8890
842	5SG	0.8889
843	NGO	0.8889
844	GJS	0.8888
845	HH5	0.8887
846	948	0.8887
847	MAH	0.8886
848	J9T	0.8884
849	0GZ	0.8883
850	NYL	0.8881
851	HLD	0.8881
852	F0J	0.8881
853	SWA	0.8881
854	VGL	0.8880
855	0W8	0.8878
856	COI	0.8877
857	BQ2	0.8876
858	MPV	0.8876
859	TPA	0.8876
860	3MG	0.8875
861	1LM	0.8875
862	363	0.8874
863	RSO	0.8874
864	GM7	0.8873
865	AHC	0.8872
866	ST2	0.8872
867	EYK	0.8872
868	GWM	0.8872
869	TBS	0.8871
870	K5W	0.8871
871	AOT	0.8871
872	IF7	0.8870
873	NGW	0.8870
874	EMZ	0.8869
875	60P	0.8869
876	JFJ	0.8868
877	HPP	0.8867
878	8WT	0.8867
879	ZZ8	0.8867
880	6ZX	0.8867
881	NCD	0.8867
882	AP4	0.8866
883	TEP	0.8866
884	FLV	0.8866
885	ZON	0.8866
886	P92	0.8866
887	X6X	0.8866
888	091	0.8866
889	QUZ	0.8865
890	SJ5	0.8865
891	GC3	0.8865
892	BMA	0.8864
893	1VK	0.8863
894	MNP	0.8862
895	NK	0.8862
896	K4V	0.8861
897	K17	0.8861
898	54X	0.8861
899	EUG	0.8860
900	KBB	0.8858
901	NPY	0.8858
902	A2G	0.8858
903	PRA	0.8858
904	BBK	0.8858
905	6CS	0.8857
906	RMN	0.8857
907	14J	0.8857
908	DNC	0.8856
909	GNM	0.8856
910	KDG	0.8855
911	M58	0.8855
912	8GK	0.8855
913	NMJ	0.8854
914	NOK	0.8854
915	9PY	0.8853
916	5NS	0.8850
917	80G	0.8850
918	MD6	0.8849
919	5OO	0.8849
920	GSY	0.8848
921	BPU	0.8848
922	EVF	0.8848
923	UFV	0.8847
924	2O6	0.8846
925	AX3	0.8846
926	CS2	0.8845
927	7MW	0.8845
928	9RW	0.8844
929	MTL	0.8844
930	HY1	0.8843
931	NDG	0.8843
932	S8V	0.8842
933	7WR	0.8841
934	GXL	0.8841
935	XBT	0.8840
936	R8A	0.8840
937	LMR	0.8839
938	8U3	0.8839
939	SDF	0.8838
940	II6	0.8837
941	EUE	0.8837
942	DHS	0.8837
943	GLU	0.8835
944	FOC	0.8834
945	SHG	0.8833
946	2H5	0.8833
947	H7Y	0.8832
948	X09	0.8831
949	KMH	0.8831
950	HHS	0.8831
951	HWD	0.8830
952	2FT	0.8830
953	SKF	0.8830
954	24W	0.8829
955	P7Y	0.8828
956	GDL	0.8828
957	XLS	0.8827
958	258	0.8827
959	XRG	0.8825
960	BNS	0.8825
961	APG	0.8825
962	YCP	0.8825
963	41K	0.8825
964	20J	0.8824
965	0R0	0.8823
966	SVD	0.8821
967	4YS	0.8821
968	QAS	0.8821
969	IFM	0.8820
970	8NB	0.8820
971	AEH	0.8820
972	AMR	0.8820
973	344	0.8818
974	0XT	0.8818
975	MAN	0.8817
976	ES1	0.8817
977	YQA	0.8817
978	TVP	0.8816
979	AES	0.8816
980	FA3	0.8816
981	JXN	0.8815
982	4CS	0.8815
983	H8N	0.8815
984	K2P	0.8813
985	FBF	0.8813
986	MT5	0.8812
987	M45	0.8811
988	EGR	0.8810
989	SR1	0.8810
990	SD4	0.8810
991	DHQ	0.8809
992	UFO	0.8809
993	QAT	0.8809
994	GCO	0.8808
995	CFF	0.8807
996	TZE	0.8807
997	68A	0.8807
998	1SA	0.8806
999	WOO	0.8805
1000	6HO	0.8804
1001	A65	0.8804
1002	FOT	0.8803
1003	DX3	0.8802
1004	2FG	0.8801
1005	DTY	0.8801
1006	GZ8	0.8801
1007	V1T	0.8801
1008	CK2	0.8801
1009	HKD	0.8801
1010	DQA	0.8801
1011	3HG	0.8800
1012	1Z6	0.8800
1013	149	0.8799
1014	PFB	0.8799
1015	264	0.8798
1016	JYT	0.8798
1017	HQ9	0.8798
1018	HSO	0.8797
1019	5GT	0.8797
1020	QMP	0.8795
1021	GAF	0.8794
1022	4NZ	0.8794
1023	32X	0.8793
1024	PFF	0.8792
1025	1GN	0.8792
1026	SS1	0.8791
1027	EXD	0.8791
1028	28N	0.8790
1029	QBM	0.8790
1030	KTA	0.8789
1031	HX4	0.8789
1032	I2E	0.8788
1033	A3M	0.8786
1034	HH8	0.8784
1035	B85	0.8784
1036	51R	0.8783
1037	XDK	0.8783
1038	5Q0	0.8782
1039	IJZ	0.8782
1040	YIO	0.8781
1041	39U	0.8779
1042	286	0.8778
1043	Q71	0.8778
1044	S2P	0.8778
1045	FK8	0.8777
1046	ASN	0.8776
1047	MP5	0.8776
1048	2CZ	0.8776
1049	9LI	0.8775
1050	L46	0.8774
1051	GT0	0.8774
1052	LZ2	0.8774
1053	PEZ	0.8774
1054	FH2	0.8771
1055	8GC	0.8770
1056	2K8	0.8770
1057	GLN	0.8770
1058	MHK	0.8769
1059	HQY	0.8769
1060	3AE	0.8769
1061	5TY	0.8768
1062	2GS	0.8766
1063	6BL	0.8766
1064	EHM	0.8765
1065	GLT	0.8764
1066	XX3	0.8763
1067	1FD	0.8763
1068	QSC	0.8763
1069	293	0.8763
1070	RIB	0.8762
1071	GCW	0.8762
1072	QIC	0.8760
1073	495	0.8759
1074	ATX	0.8759
1075	3VX	0.8759
1076	STX	0.8758
1077	SIF	0.8758
1078	PA1	0.8757
1079	XYP	0.8756
1080	BDF	0.8755
1081	7O4	0.8755
1082	88L	0.8754
1083	HPS	0.8751
1084	M6Z	0.8751
1085	S2G	0.8750
1086	6FB	0.8749
1087	DMJ	0.8748
1088	LLH	0.8747
1089	LR5	0.8747
1090	XEN	0.8747
1091	HNQ	0.8746
1092	HPA	0.8746
1093	MIG	0.8745
1094	R8V	0.8744
1095	6DP	0.8744
1096	IPZ	0.8743
1097	OXZ	0.8742
1098	SME	0.8742
1099	DA4	0.8741
1100	56D	0.8738
1101	BP7	0.8737
1102	MWP	0.8737
1103	MBG	0.8734
1104	CXH	0.8734
1105	ENO	0.8734
1106	TAR	0.8733
1107	M44	0.8733
1108	C2U	0.8731
1109	UA5	0.8731
1110	UNC	0.8731
1111	OHJ	0.8729
1112	FBW	0.8729
1113	SR4	0.8729
1114	L22	0.8729
1115	N4E	0.8728
1116	PMB	0.8728
1117	ZZZ	0.8727
1118	AIN	0.8727
1119	MS0	0.8726
1120	F06	0.8726
1121	6QF	0.8726
1122	ADE	0.8725
1123	NDM	0.8725
1124	HXX	0.8725
1125	ZZ3	0.8721
1126	ROI	0.8721
1127	ORO	0.8721
1128	A9P	0.8721
1129	4LV	0.8720
1130	AFR	0.8719
1131	6XI	0.8719
1132	DIU	0.8718
1133	HJ7	0.8718
1134	SQ4	0.8718
1135	G4D	0.8718
1136	GIV	0.8717
1137	FIX	0.8716
1138	GLF	0.8714
1139	DII	0.8714
1140	DPN	0.8713
1141	67X	0.8713
1142	JP2	0.8713
1143	PEP	0.8713
1144	3WA	0.8713
1145	XXG	0.8712
1146	TZL	0.8712
1147	AY4	0.8711
1148	0NX	0.8711
1149	B5D	0.8710
1150	GAG	0.8710
1151	KTW	0.8710
1152	LSA	0.8709
1153	XCZ	0.8708
1154	MZB	0.8705
1155	NTM	0.8705
1156	3XR	0.8704
1157	BTE	0.8703
1158	FB2	0.8703
1159	LKA	0.8703
1160	JBQ	0.8702
1161	0W1	0.8702
1162	4V2	0.8701
1163	JZ1	0.8701
1164	4BF	0.8700
1165	ICT	0.8699
1166	JF1	0.8699
1167	SEP	0.8698
1168	M5E	0.8695
1169	1DV	0.8695
1170	HBO	0.8695
1171	3AL	0.8695
1172	SS2	0.8694
1173	AZM	0.8693
1174	SYM	0.8690
1175	YZM	0.8690
1176	GBD	0.8690
1177	4NS	0.8689
1178	2SX	0.8689
1179	LAO	0.8688
1180	329	0.8688
1181	ARP	0.8688
1182	5AC	0.8687
1183	263	0.8687
1184	9FH	0.8686
1185	HJP	0.8685
1186	TMG	0.8685
1187	2PG	0.8683
1188	KBG	0.8680
1189	3QM	0.8677
1190	Z13	0.8676
1191	SWX	0.8673
1192	QMS	0.8672
1193	IT2	0.8671
1194	XCG	0.8669
1195	JYB	0.8668
1196	D1X	0.8667
1197	HCI	0.8667
1198	GVY	0.8666
1199	E1K	0.8666
1200	9SE	0.8664
1201	3VS	0.8664
1202	FDK	0.8663
1203	657	0.8662
1204	KYD	0.8662
1205	DOR	0.8661
1206	1XN	0.8661
1207	3HP	0.8659
1208	CCV	0.8657
1209	H6B	0.8657
1210	XIZ	0.8657
1211	KGK	0.8656
1212	152	0.8654
1213	R2P	0.8653
1214	JAH	0.8653
1215	P81	0.8653
1216	VM1	0.8652
1217	J01	0.8652
1218	L7T	0.8650
1219	TCA	0.8650
1220	FWD	0.8649
1221	GIF	0.8649
1222	E0O	0.8648
1223	ZBT	0.8648
1224	3W8	0.8647
1225	K7M	0.8647
1226	AZF	0.8647
1227	QIV	0.8647
1228	50C	0.8647
1229	EV3	0.8645
1230	SLS	0.8645
1231	X48	0.8644
1232	B4O	0.8644
1233	34D	0.8642
1234	B40	0.8641
1235	7HP	0.8641
1236	XXP	0.8641
1237	E4P	0.8637
1238	URS	0.8636
1239	HNT	0.8634
1240	ILE	0.8633
1241	SC2	0.8633
1242	8K2	0.8631
1243	O72	0.8630
1244	DGN	0.8627
1245	OXC	0.8625
1246	MZM	0.8623
1247	OXQ	0.8623
1248	AGK	0.8620
1249	IQ5	0.8620
1250	DGL	0.8620
1251	SQ7	0.8619
1252	7VJ	0.8618
1253	SXS	0.8617
1254	AM4	0.8617
1255	TDR	0.8617
1256	6J9	0.8616
1257	4P0	0.8616
1258	4VS	0.8615
1259	FF2	0.8614
1260	GOG	0.8614
1261	OTD	0.8613
1262	CXP	0.8607
1263	M3Q	0.8604
1264	GZ3	0.8604
1265	3GQ	0.8604
1266	ICF	0.8596
1267	MZW	0.8596
1268	TH0	0.8595
1269	4JO	0.8594
1270	R1P	0.8594
1271	XQI	0.8593
1272	FZM	0.8593
1273	S7G	0.8593
1274	A09	0.8592
1275	2IT	0.8591
1276	GGL	0.8591
1277	7MK	0.8591
1278	E35	0.8590
1279	8XQ	0.8590
1280	4LW	0.8589
1281	PYD	0.8588
1282	P3K	0.8587
1283	LYS	0.8583
1284	1U6	0.8580
1285	3V4	0.8578
1286	43M	0.8578
1287	4CM	0.8578
1288	95Z	0.8578
1289	IWD	0.8577
1290	G14	0.8574
1291	IUP	0.8574
1292	I4B	0.8573
1293	R2B	0.8571
1294	NPA	0.8566
1295	SFU	0.8565
1296	YI6	0.8565
1297	YIE	0.8561
1298	3YP	0.8561
1299	CSN	0.8559
1300	MEV	0.8558
1301	PCA	0.8552
1302	CWD	0.8551
1303	C2A	0.8548
1304	L03	0.8545
1305	AW5	0.8540
1306	T6C	0.8535
1307	HNM	0.8528
1308	WBU	0.8526
1309	NK2	0.8526
1310	C82	0.8523

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

Pocket No.: 1; Query (leader) PDB : 2XK9; Ligand: XK9; Similar sites found with APoc: 16

This union binding pocket(no: 1) in the query (biounit: 2xk9.bio1) has 36 residues
No:	Leader PDB	Ligand	Sequence Similarity
1	6JUX	C9U	29.4314
2	4FL3	ANP	31.3665
3	5T8O	76Z	31.677
4	2H8H	H8H	34.472
5	5MJA	7O3	34.7541
6	5CEO	50D	36.3333
7	3ALN	ANP	37.8882
8	3SRV	S19	38.2671
9	2BDJ	HET	40.8602
10	4H3P	ANP	43.4783
11	6FYV	3NG	43.4783
12	6FYL	3NG	44.0994
13	4CFU	2WC	45.5446
14	3SXS	PP2	46.2687
15	4UX9	ANP	46.2733
16	3BU5	ATP	46.6667

Pocket No.: 2; Query (leader) PDB : 2XK9; Ligand: XK9; 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: 2xk9.bio1) has 36 residues
No:	Leader PDB	Ligand	Sequence Similarity

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