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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
1RU2	1.48 Å	EC: 2.7.6.3	CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF E.COLI HPPK(V83G/D WITH MGAMPCPP AND 6-HYDROXYMETHYLPTERIN AT 1.48 ANGSTROM RE( ORTHORHOMBIC FORM)	ESCHERICHIA COLI	PYROPHOSPHOKINASE PYROPHOSPHORYL TRANSFER FOLATE HPPK 6-HYDROXYMETHYLPTERIN 6-HYDROXYMETHYL-78-DIHYDROPTERIN ANTIMICROBIAL AGENT DRUG DESIGN DELETION MUTANT TRANSFER
Ref.:	ESSENTIAL ROLES OF A DYNAMIC LOOP IN THE CATALYSIS 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE BIOCHEMISTRY V. 43 1469 2004

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	Molecular Weight (Da)	Formula	SMILES
APC	A:171;	Valid;	none;	Kd = 0.32 uM	505.208	C11 H18 N5 O12 P3	c1nc(...
CL	A:163;	Invalid;	none;	submit data	35.453	Cl	[Cl-]
HHR	A:181;	Valid;	none;	Kd = 18 uM	193.163	C7 H7 N5 O2	c1c(n...
MG	A:161; A:162;	Part of Protein; Part of Protein;	none; none;	submit data	24.305	Mg	[Mg+2...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
7KDR	1.49 Å	EC: 2.7.6.3	CRYSTAL STRUCTURE OF ESCHERICHIA COLI HPPK IN COMPLEX WITH B INHIBITOR HP-75	ESCHERICHIA COLI (STRAIN K12)	ALPHA BETA TRANSFERASE TRANSFERASE-INHIBITOR COMPLEX
Ref.:	BISUBSTRATE INHIBITORS OF 6-HYDROXYMETHYL-7,8-DIHYD PYROPHOSPHOKINASE: TRANSITION STATE ANALOGS FOR HIG AFFINITY BINDING. BIOORG.MED.CHEM. 15847 2020

Members (38)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 4 families.
1	3HD1	-	APC	C11 H18 N5 O12 P3	c1nc(c2c(n....
2	5ETO	Kd = 2.7 uM	5RY	C13 H9 F N6 O S	c1cc(c(cc1....
3	1HQ2	-	APC	C11 H18 N5 O12 P3	c1nc(c2c(n....
4	3HT0	-	APC	C11 H18 N5 O12 P3	c1nc(c2c(n....
5	4M5J	Kd = 14.5 uM	YH5	C14 H13 N5 O3 S	COc1ccc(cc....
6	5ETP	Kd = 0.7 uM	5RZ	C13 H10 Br N5 O2 S	c1cc(ccc1C....
7	1DY3	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
8	5ETM	Kd = 3.9 uM	5RW	C12 H10 F N5 O S	c1cc(ccc1C....
9	3HSG	-	APC	C11 H18 N5 O12 P3	c1nc(c2c(n....
10	5ETN	Kd = 4.3 uM	5RX	C12 H10 Cl N5 O S	c1cc(ccc1C....
11	4M5M	Kd = 18 uM	DX4	C5 H5 N5 S	c1[nH]c2c(....
12	1EX8	Kd = 0.47 uM	A4P	C17 H24 N10 O17 P4	c1nc(c2c(n....
13	4M5H	Kd = 29 uM	YH2	C13 H10 N6 O S	c1cc(ccc1C....
14	1EQM	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
15	3UDE	-	J1B	C26 H38 N12 O4 S	CC1(C(=NC2....
16	1Q0N	-	APC	C11 H18 N5 O12 P3	c1nc(c2c(n....
17	1RU2	Kd = 0.32 uM	APC	C11 H18 N5 O12 P3	c1nc(c2c(n....
18	3UD5	-	J1A	C24 H32 N12 O4 S	c1c(nc2c(n....
19	4M5K	Kd = 5.9 uM	YH3	C14 H13 N5 O2 S	Cc1cccc(c1....
20	4M5G	Kd = 9.7 uM	YH1	C13 H11 N5 O2 S	c1ccc(cc1)....
21	5ETK	Kd = 1.5 uM	5RU	C12 H10 F N5 O S	c1ccc(c(c1....
22	3IP0	-	APC	C11 H18 N5 O12 P3	c1nc(c2c(n....
23	3ILO	-	APC	C11 H18 N5 O12 P3	c1nc(c2c(n....
24	3HD2	-	APC	C11 H18 N5 O12 P3	c1nc(c2c(n....
25	4M5N	Kd = 7.5 uM	YH7	C5 H5 N5 S	C1=NC2=C(N....
26	1RB0	-	HH2	C7 H9 N5 O8 P2	c1c(nc2c(n....
27	5ETL	Kd = 23 uM	5RV	C13 H10 N6 O S	c1ccc(c(c1....
28	4M5I	Kd = 6.7 uM	YH6	C14 H13 N5 O2 S	Cc1ccc(cc1....
29	4F7V	Kd = 4.16 uM	J1D	C23 H30 N12 O8 S	CC1(C(=NC2....
30	1RU1	Kd = 18 uM	PH2	C7 H9 N5 O2	C1C(=NC2=C....
31	3KUH	-	APC	C11 H18 N5 O12 P3	c1nc(c2c(n....
32	7KDR	Kd = 0.047 uM	J1L	C27 H36 N12 O9 S	CC1(C(=NC2....
33	1F9H	-	PH2	C7 H9 N5 O2	C1C(=NC2=C....
34	3UDV	Kd = 2.55 uM	J1C	C26 H36 N12 O5 S	CC1(C(=NC2....
35	1RAO	-	HH2	C7 H9 N5 O8 P2	c1c(nc2c(n....
36	7KDO	ic50 = 0.38 uM	H73	C27 H36 N12 O7 S	CC1(C(=NC2....
37	1TMM	Kd = 0.23 uM	APC	C11 H18 N5 O12 P3	c1nc(c2c(n....
38	4M5L	Kd = 18.9 uM	YH4	C14 H13 N5 O2 S	Cc1ccccc1C....

70% Homology Family (40)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 3 families.
1	3HD1	-	APC	C11 H18 N5 O12 P3	c1nc(c2c(n....
2	5ETO	Kd = 2.7 uM	5RY	C13 H9 F N6 O S	c1cc(c(cc1....
3	1HQ2	-	APC	C11 H18 N5 O12 P3	c1nc(c2c(n....
4	3HT0	-	APC	C11 H18 N5 O12 P3	c1nc(c2c(n....
5	4M5J	Kd = 14.5 uM	YH5	C14 H13 N5 O3 S	COc1ccc(cc....
6	5ETP	Kd = 0.7 uM	5RZ	C13 H10 Br N5 O2 S	c1cc(ccc1C....
7	1DY3	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
8	5ETM	Kd = 3.9 uM	5RW	C12 H10 F N5 O S	c1cc(ccc1C....
9	3HSG	-	APC	C11 H18 N5 O12 P3	c1nc(c2c(n....
10	5ETN	Kd = 4.3 uM	5RX	C12 H10 Cl N5 O S	c1cc(ccc1C....
11	4M5M	Kd = 18 uM	DX4	C5 H5 N5 S	c1[nH]c2c(....
12	1EX8	Kd = 0.47 uM	A4P	C17 H24 N10 O17 P4	c1nc(c2c(n....
13	4M5H	Kd = 29 uM	YH2	C13 H10 N6 O S	c1cc(ccc1C....
14	1EQM	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
15	3UDE	-	J1B	C26 H38 N12 O4 S	CC1(C(=NC2....
16	1Q0N	-	APC	C11 H18 N5 O12 P3	c1nc(c2c(n....
17	1RU2	Kd = 0.32 uM	APC	C11 H18 N5 O12 P3	c1nc(c2c(n....
18	3UD5	-	J1A	C24 H32 N12 O4 S	c1c(nc2c(n....
19	4M5K	Kd = 5.9 uM	YH3	C14 H13 N5 O2 S	Cc1cccc(c1....
20	4M5G	Kd = 9.7 uM	YH1	C13 H11 N5 O2 S	c1ccc(cc1)....
21	5ETK	Kd = 1.5 uM	5RU	C12 H10 F N5 O S	c1ccc(c(c1....
22	3IP0	-	APC	C11 H18 N5 O12 P3	c1nc(c2c(n....
23	3ILO	-	APC	C11 H18 N5 O12 P3	c1nc(c2c(n....
24	3HD2	-	APC	C11 H18 N5 O12 P3	c1nc(c2c(n....
25	4M5N	Kd = 7.5 uM	YH7	C5 H5 N5 S	C1=NC2=C(N....
26	1RB0	-	HH2	C7 H9 N5 O8 P2	c1c(nc2c(n....
27	5ETL	Kd = 23 uM	5RV	C13 H10 N6 O S	c1ccc(c(c1....
28	4M5I	Kd = 6.7 uM	YH6	C14 H13 N5 O2 S	Cc1ccc(cc1....
29	4F7V	Kd = 4.16 uM	J1D	C23 H30 N12 O8 S	CC1(C(=NC2....
30	1RU1	Kd = 18 uM	PH2	C7 H9 N5 O2	C1C(=NC2=C....
31	3KUH	-	APC	C11 H18 N5 O12 P3	c1nc(c2c(n....
32	7KDR	Kd = 0.047 uM	J1L	C27 H36 N12 O9 S	CC1(C(=NC2....
33	1F9H	-	PH2	C7 H9 N5 O2	C1C(=NC2=C....
34	3UDV	Kd = 2.55 uM	J1C	C26 H36 N12 O5 S	CC1(C(=NC2....
35	1RAO	-	HH2	C7 H9 N5 O8 P2	c1c(nc2c(n....
36	7KDO	ic50 = 0.38 uM	H73	C27 H36 N12 O7 S	CC1(C(=NC2....
37	1TMM	Kd = 0.23 uM	APC	C11 H18 N5 O12 P3	c1nc(c2c(n....
38	4M5L	Kd = 18.9 uM	YH4	C14 H13 N5 O2 S	Cc1ccccc1C....
39	2QX0	Kd = 0.78 uM	PH2	C7 H9 N5 O2	C1C(=NC2=C....
40	1CBK	-	ROI	C8 H11 N5 O2	CC1(C(=NC2....

50% Homology Family (49)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 2 families.
1	3HD1	-	APC	C11 H18 N5 O12 P3	c1nc(c2c(n....
2	5ETO	Kd = 2.7 uM	5RY	C13 H9 F N6 O S	c1cc(c(cc1....
3	1HQ2	-	APC	C11 H18 N5 O12 P3	c1nc(c2c(n....
4	3HT0	-	APC	C11 H18 N5 O12 P3	c1nc(c2c(n....
5	4M5J	Kd = 14.5 uM	YH5	C14 H13 N5 O3 S	COc1ccc(cc....
6	5ETP	Kd = 0.7 uM	5RZ	C13 H10 Br N5 O2 S	c1cc(ccc1C....
7	1DY3	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
8	5ETM	Kd = 3.9 uM	5RW	C12 H10 F N5 O S	c1cc(ccc1C....
9	3HSG	-	APC	C11 H18 N5 O12 P3	c1nc(c2c(n....
10	5ETN	Kd = 4.3 uM	5RX	C12 H10 Cl N5 O S	c1cc(ccc1C....
11	4M5M	Kd = 18 uM	DX4	C5 H5 N5 S	c1[nH]c2c(....
12	1EX8	Kd = 0.47 uM	A4P	C17 H24 N10 O17 P4	c1nc(c2c(n....
13	4M5H	Kd = 29 uM	YH2	C13 H10 N6 O S	c1cc(ccc1C....
14	1EQM	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
15	3UDE	-	J1B	C26 H38 N12 O4 S	CC1(C(=NC2....
16	1Q0N	-	APC	C11 H18 N5 O12 P3	c1nc(c2c(n....
17	1RU2	Kd = 0.32 uM	APC	C11 H18 N5 O12 P3	c1nc(c2c(n....
18	3UD5	-	J1A	C24 H32 N12 O4 S	c1c(nc2c(n....
19	4M5K	Kd = 5.9 uM	YH3	C14 H13 N5 O2 S	Cc1cccc(c1....
20	4M5G	Kd = 9.7 uM	YH1	C13 H11 N5 O2 S	c1ccc(cc1)....
21	5ETK	Kd = 1.5 uM	5RU	C12 H10 F N5 O S	c1ccc(c(c1....
22	3IP0	-	APC	C11 H18 N5 O12 P3	c1nc(c2c(n....
23	3ILO	-	APC	C11 H18 N5 O12 P3	c1nc(c2c(n....
24	3HD2	-	APC	C11 H18 N5 O12 P3	c1nc(c2c(n....
25	4M5N	Kd = 7.5 uM	YH7	C5 H5 N5 S	C1=NC2=C(N....
26	1RB0	-	HH2	C7 H9 N5 O8 P2	c1c(nc2c(n....
27	5ETL	Kd = 23 uM	5RV	C13 H10 N6 O S	c1ccc(c(c1....
28	4M5I	Kd = 6.7 uM	YH6	C14 H13 N5 O2 S	Cc1ccc(cc1....
29	4F7V	Kd = 4.16 uM	J1D	C23 H30 N12 O8 S	CC1(C(=NC2....
30	1RU1	Kd = 18 uM	PH2	C7 H9 N5 O2	C1C(=NC2=C....
31	3KUH	-	APC	C11 H18 N5 O12 P3	c1nc(c2c(n....
32	7KDR	Kd = 0.047 uM	J1L	C27 H36 N12 O9 S	CC1(C(=NC2....
33	1F9H	-	PH2	C7 H9 N5 O2	C1C(=NC2=C....
34	3UDV	Kd = 2.55 uM	J1C	C26 H36 N12 O5 S	CC1(C(=NC2....
35	1RAO	-	HH2	C7 H9 N5 O8 P2	c1c(nc2c(n....
36	7KDO	ic50 = 0.38 uM	H73	C27 H36 N12 O7 S	CC1(C(=NC2....
37	1TMM	Kd = 0.23 uM	APC	C11 H18 N5 O12 P3	c1nc(c2c(n....
38	4M5L	Kd = 18.9 uM	YH4	C14 H13 N5 O2 S	Cc1ccccc1C....
39	2QX0	Kd = 0.78 uM	PH2	C7 H9 N5 O2	C1C(=NC2=C....
40	1CBK	-	ROI	C8 H11 N5 O2	CC1(C(=NC2....
41	4AD6	Kd = 16.7 uM	GSY	C7 H9 N5 O2 S	C(CO)n1c2c....
42	5ETQ	Kd = 0.33 uM	YH2	C13 H10 N6 O S	c1cc(ccc1C....
43	5ETR	Kd = 0.3 uM	5RW	C12 H10 F N5 O S	c1cc(ccc1C....
44	4CRJ	Kd = 1.1 uM	YH5	C14 H13 N5 O3 S	COc1ccc(cc....
45	4CWB	Kd = 0.81 uM	X6L	C19 H15 N5 O2 S	c1ccc(cc1)....
46	5ETS	Kd = 1.24 uM	5RX	C12 H10 Cl N5 O S	c1cc(ccc1C....
47	3QBC	Kd = 10.8 uM	B55	C5 H5 N5 O S	c12c([nH]c....
48	5ETT	Kd = 0.59 uM	5RY	C13 H9 F N6 O S	c1cc(c(cc1....
49	5ETV	Kd = 0.57 uM	5RZ	C13 H10 Br N5 O2 S	c1cc(ccc1C....

Polypharmacology

Similar Ligands (2D)

Ligand no: 1; Ligand: APC; Similar ligands found: 392

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	APC	1	1
2	ACQ	0.831169	0.986301
3	A12	0.821918	1
4	AP2	0.821918	1
5	ADV	0.805195	0.972973
6	RBY	0.805195	0.972973
7	AMP	0.777778	0.931507
8	A	0.777778	0.931507
9	ADP	0.763158	0.958904
10	ACP	0.75641	0.986301
11	6YZ	0.756098	0.986301
12	A2D	0.746667	0.932432
13	AP5	0.74026	0.932432
14	B4P	0.74026	0.932432
15	ATP	0.734177	0.958904
16	HEJ	0.734177	0.958904
17	BA3	0.727273	0.932432
18	AQP	0.725	0.958904
19	5FA	0.725	0.958904
20	45A	0.723684	0.881579
21	ABM	0.723684	0.881579
22	AMP MG	0.72	0.891892
23	AN2	0.708861	0.945946
24	AT4	0.708861	0.921053
25	M33	0.7	0.92
26	TAT	0.698795	0.921053
27	T99	0.698795	0.921053
28	SRA	0.697368	0.883117
29	ADP MG	0.6875	0.905405
30	ADP BEF	0.6875	0.905405
31	APR	0.682927	0.932432
32	AR6	0.682927	0.932432
33	AU1	0.679012	0.933333
34	ADX	0.679012	0.841463
35	CA0	0.679012	0.907895
36	ANP	0.678571	0.933333
37	AGS	0.674699	0.909091
38	AD9	0.674699	0.933333
39	ADP PO3	0.674699	0.905405
40	ATP MG	0.674699	0.905405
41	APC MG	0.674699	0.932432
42	50T	0.670732	0.92
43	KG4	0.670732	0.907895
44	PRX	0.662651	0.858974
45	HQG	0.647727	0.945946
46	BEF ADP	0.647059	0.881579
47	ATF	0.643678	0.921053
48	A22	0.640449	0.945946
49	MAP	0.640449	0.909091
50	GAP	0.639535	0.858974
51	TAD	0.632653	0.923077
52	5AL	0.632184	0.894737
53	8LE	0.632184	0.860759
54	V2G	0.632184	0.886076
55	SON	0.626506	0.946667
56	ADQ	0.626374	0.907895
57	ALF ADP	0.625	0.8375
58	ANP MG	0.625	0.894737
59	VO4 ADP	0.625	0.907895
60	LMS	0.620253	0.797619
61	SRP	0.617977	0.896104
62	8LH	0.617977	0.871795
63	25A	0.615385	0.932432
64	9ZA	0.615385	0.873418
65	9ZD	0.615385	0.873418
66	RAB	0.611111	0.810811
67	ADN	0.611111	0.810811
68	XYA	0.611111	0.810811
69	25L	0.610526	0.945946
70	A1R	0.608696	0.922078
71	A3R	0.608696	0.922078
72	4AD	0.608696	0.909091
73	8LQ	0.604396	0.896104
74	QA7	0.604396	0.860759
75	DAL AMP	0.604396	0.87013
76	JNT	0.602151	0.933333
77	38V	0.598214	0.924051
78	OOB	0.597826	0.894737
79	8QN	0.597826	0.894737
80	5SV	0.597826	0.839506
81	OZV	0.597826	0.932432
82	ADP BMA	0.595745	0.883117
83	OAD	0.595745	0.907895
84	9X8	0.595745	0.884615
85	PAJ	0.591398	0.851852
86	AMO	0.591398	0.921053
87	AOC	0.585366	0.789474
88	AHX	0.585106	0.886076
89	00A	0.585106	0.85
90	DLL	0.585106	0.894737
91	3OD	0.583333	0.907895
92	BIS	0.583333	0.897436
93	PTJ	0.583333	0.8625
94	3UK	0.578947	0.883117
95	DZD	0.577982	0.923077
96	5AS	0.576471	0.752809
97	5N5	0.573333	0.786667
98	O02	0.573034	0.960526
99	WAQ	0.572917	0.897436
100	B5V	0.572917	0.871795
101	LAD	0.572917	0.875
102	PR8	0.572917	0.864198
103	4TC	0.571429	0.910256
104	FYA	0.56701	0.894737
105	ME8	0.56701	0.831325
106	TXA	0.56701	0.896104
107	NB8	0.56701	0.886076
108	1ZZ	0.56701	0.831325
109	5CD	0.565789	0.773333
110	A4D	0.565789	0.786667
111	KMQ	0.565657	0.896104
112	ATP A	0.565657	0.893333
113	ATP A A A	0.565657	0.893333
114	A3P	0.564706	0.931507
115	7D5	0.5625	0.868421
116	PAP	0.561798	0.945205
117	MYR AMP	0.561224	0.809524
118	G5P	0.558824	0.886076
119	M2T	0.556962	0.707317
120	9SN	0.555556	0.839506
121	G2P	0.553191	0.923077
122	7D3	0.552941	0.894737
123	UP5	0.552381	0.884615
124	TXD	0.552381	0.873418
125	JB6	0.55102	0.873418
126	2A5	0.550562	0.907895
127	B5Y	0.55	0.860759
128	FA5	0.55	0.896104
129	B5M	0.55	0.860759
130	G3A	0.54902	0.886076
131	3AM	0.548781	0.891892
132	A2P	0.546512	0.917808
133	7D4	0.545455	0.894737
134	XAH	0.544554	0.853659
135	ATR	0.544444	0.931507
136	EP4	0.544304	0.725
137	GA7	0.543689	0.896104
138	AFH	0.543689	0.875
139	H1Q	0.539326	0.868421
140	4UV	0.539216	0.860759
141	G5A	0.538462	0.772727
142	GTA	0.538462	0.853659
143	DQV	0.538462	0.92
144	NAI	0.537736	0.873418
145	DTA	0.5375	0.779221
146	3DH	0.536585	0.74359
147	LAQ	0.533333	0.831325
148	AHZ	0.533333	0.788235
149	MTA	0.530864	0.74359
150	7MD	0.528846	0.853659
151	ARG AMP	0.528846	0.821429
152	4UU	0.528846	0.860759
153	AR6 AR6	0.528846	0.881579
154	48N	0.528302	0.886076
155	LPA AMP	0.528302	0.809524
156	ITT	0.52809	0.905405
157	L3W	0.527778	0.896104
158	AMP DBH	0.524272	0.858974
159	DND	0.523364	0.896104
160	6V0	0.523364	0.8625
161	4UW	0.523364	0.829268
162	NAX	0.523364	0.864198
163	IMO	0.523256	0.891892
164	A4P	0.522936	0.813953
165	HFD	0.521739	0.909091
166	JSQ	0.521739	0.909091
167	A5A	0.521277	0.77907
168	TSB	0.520833	0.790698
169	OMR	0.518519	0.843373
170	TXE	0.518519	0.873418
171	2AM	0.518072	0.905405
172	6RE	0.517647	0.753086
173	S4M	0.517241	0.681818
174	6MZ	0.517241	0.893333
175	V3L	0.516129	0.932432
176	SSA	0.515789	0.793103
177	YLP	0.514019	0.833333
178	UPA	0.513761	0.873418
179	AP0	0.513761	0.8625
180	139	0.513514	0.864198
181	T5A	0.513514	0.855422
182	PPS	0.510638	0.841463
183	52H	0.510417	0.752809
184	54H	0.510417	0.761364
185	VMS	0.510417	0.761364
186	A2R	0.510417	0.945946
187	CNA	0.508929	0.896104
188	ZAS	0.505882	0.7375
189	J7C	0.505747	0.7625
190	A3N	0.505747	0.75641
191	5X8	0.505495	0.75641
192	5CA	0.505155	0.793103
193	8X1	0.505155	0.747253
194	53H	0.505155	0.752809
195	TYM	0.504587	0.896104
196	AF3 ADP 3PG	0.504587	0.829268
197	ALF ADP 3PG	0.504587	0.829268
198	IOT	0.504505	0.845238
199	80F	0.504348	0.833333
200	AMP NAD	0.5	0.87013
201	YLC	0.5	0.853659
202	NAD IBO	0.5	0.881579
203	7MC	0.5	0.833333
204	ADJ	0.5	0.843373
205	YLB	0.5	0.833333
206	OVE	0.5	0.87013
207	NAD TDB	0.5	0.881579
208	P5A	0.49505	0.758242
209	LSS	0.494949	0.755556
210	DSZ	0.494949	0.793103
211	NSS	0.494949	0.793103
212	NO7	0.494845	0.896104
213	6AD	0.494737	0.875
214	MAO	0.494382	0.77381
215	DSH	0.494253	0.740741
216	A3D	0.491379	0.883117
217	F2R	0.491228	0.855422
218	9K8	0.490196	0.691489
219	O05	0.490196	0.879518
220	NVA LMS	0.49	0.747253
221	AV2	0.489583	0.881579
222	CUU	0.48913	0.958904
223	NWW	0.4875	0.72973
224	NAD	0.486957	0.894737
225	COD	0.486957	0.825581
226	4TA	0.486957	0.821429
227	YLA	0.486726	0.833333
228	LEU LMS	0.485149	0.725275
229	NA7	0.485149	0.972973
230	3AT	0.484211	0.958904
231	GJV	0.483146	0.743902
232	AYB	0.482456	0.823529
233	5AD	0.480519	0.716216
234	KAA	0.480392	0.766667
235	GSU	0.480392	0.772727
236	71V	0.477778	0.873418
237	A3G	0.477273	0.792208
238	7D7	0.474359	0.736842
239	BTX	0.474138	0.855422
240	6C6	0.473684	0.896104
241	DAT	0.473118	0.92
242	SFG	0.473118	0.766234
243	YSA	0.471698	0.772727
244	PO4 PO4 A A A A PO4	0.470588	0.866667
245	BT5	0.470085	0.845238
246	AVV	0.47	0.910256
247	SMM	0.469388	0.701149
248	DTP	0.46875	0.92
249	SAM	0.46875	0.705882
250	6IA	0.46875	0.829268
251	A7D	0.467391	0.792208
252	M24	0.466667	0.819277
253	J4G	0.466019	0.909091
254	SA8	0.463158	0.722892
255	A5D	0.463158	0.779221
256	D4F	0.46281	0.809524
257	NAE	0.46281	0.860759
258	PGS	0.462366	0.85
259	MHZ	0.462366	0.712644
260	K3K	0.462264	0.772152
261	8PZ	0.462264	0.793103
262	NAJ PZO	0.462185	0.817073
263	D5M	0.460674	0.893333
264	DA	0.460674	0.893333
265	NEC	0.460674	0.717949
266	EAD	0.459677	0.841463
267	KOY	0.459459	0.772152
268	2SA	0.459184	0.921053
269	NAQ	0.459016	0.839506
270	SAH	0.458333	0.759494
271	SAI	0.458333	0.75
272	LQJ	0.457944	0.881579
273	B1U	0.457944	0.712766
274	Y3J	0.45679	0.697368
275	AAM	0.455556	0.931507
276	6K6	0.455446	0.893333
277	ZID	0.455285	0.883117
278	S7M	0.454545	0.705882
279	4YB	0.454545	0.755556
280	YLY	0.454545	0.823529
281	C2R	0.453488	0.868421
282	AMZ	0.453488	0.88
283	A3S	0.451613	0.802632
284	Z5A	0.451613	0.772727
285	7DD	0.451613	0.945205
286	7C5	0.449541	0.7875
287	101	0.449438	0.868421
288	EEM	0.44898	0.705882
289	NWQ	0.448276	0.710526
290	NAJ PYZ	0.447154	0.77907
291	N6P	0.446602	0.878378
292	ARU	0.446602	0.829268
293	AIR	0.445783	0.864865
294	NDE	0.445312	0.896104
295	P1H	0.445312	0.821429
296	N5O	0.444444	0.75641
297	N0B	0.443548	0.833333
298	NIA	0.443182	0.792683
299	A3T	0.442105	0.789474
300	GEK	0.441176	0.753086
301	QXP	0.441176	0.758621
302	K3E	0.440367	0.7625
303	V47	0.44	0.753247
304	GP2	0.438776	0.923077
305	DDS	0.438776	0.868421
306	WSA	0.438596	0.781609
307	7DT	0.4375	0.945205
308	0WD	0.436975	0.886076
309	N5A	0.434783	0.730769
310	8BR	0.434783	0.871795
311	AAT	0.434343	0.722892
312	DZ4	0.434343	0.896104
313	K2R	0.433962	0.87013
314	TXP	0.432203	0.886076
315	GGZ	0.431373	0.795181
316	NJP	0.428571	0.909091
317	A6D	0.428571	0.717647
318	QXG	0.428571	0.75
319	NYZ	0.428571	0.923077
320	FB0	0.427481	0.83908
321	NDC	0.427481	0.8625
322	PLP AAD	0.42623	0.728261
323	649	0.426087	0.758242
324	KL2	0.425287	0.805195
325	R2V	0.424528	0.758621
326	7RA	0.423913	0.918919
327	NDP	0.423729	0.886076
328	0UM	0.423077	0.714286
329	8Q2	0.422414	0.766667
330	ACK	0.422222	0.826667
331	QQY	0.422222	0.78481
332	RGT	0.422018	0.921053
333	FDA	0.421053	0.825581
334	CC5	0.419753	0.808219
335	ANZ	0.419643	0.771084
336	K2H	0.419048	0.728395
337	62X	0.419048	0.681818
338	APU	0.418803	0.860759
339	K2W	0.418182	0.756098
340	6FA	0.41791	0.833333
341	KY2	0.417476	0.746988
342	128	0.417391	0.75
343	ODP	0.416667	0.875
344	3AD	0.416667	0.797297
345	TM1	0.416667	0.747126
346	K15	0.415094	0.697674
347	CMP	0.414894	0.864865
348	2BA	0.414894	0.878378
349	V1N	0.414414	0.881579
350	S8M	0.413462	0.775
351	7RP	0.413043	0.890411
352	K38	0.412844	0.75
353	2VA	0.412371	0.769231
354	12D	0.412281	0.758621
355	FAS	0.411765	0.843373
356	FAD	0.411765	0.843373
357	SFD	0.411765	0.729167
358	NPW	0.411765	0.876543
359	2FA	0.411765	0.782051
360	K2K	0.411215	0.753086
361	QQX	0.411111	0.775
362	62F	0.410072	0.853659
363	NX8	0.41	0.731707
364	KYB	0.409524	0.746988
365	FAI	0.408602	0.88
366	AS	0.408602	0.848101
367	RMB	0.408602	0.837838
368	NZQ	0.408333	0.898734
369	GCP	0.407767	0.910256
370	SXZ	0.407407	0.72619
371	SP1	0.406593	0.810127
372	RP1	0.406593	0.810127
373	K3H	0.405405	0.722892
374	EO7	0.404255	0.761364
375	NVA 2AD	0.40404	0.753086
376	D3Y	0.403846	0.782051
377	KB1	0.40367	0.714286
378	KY5	0.40367	0.740741
379	SLU	0.403226	0.744444
380	N01	0.403226	0.87013
381	G	0.402062	0.871795
382	5GP	0.402062	0.871795
383	2TM	0.402062	0.835443
384	NMN AMP PO4	0.401639	0.8375
385	XNP	0.401639	0.841463
386	VRT	0.4	0.7625
387	FNK	0.4	0.797753
388	ETB	0.4	0.825581
389	3L1	0.4	0.789474
390	SO8	0.4	0.759494
391	3D1	0.4	0.789474
392	DCA	0.4	0.837209

Ligand no: 2; Ligand: HHR; Similar ligands found: 10

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	HHR	1	1
2	PMM	0.625	0.790323
3	HH2	0.583333	0.765625
4	MPU	0.533333	0.830508
5	NEO	0.533333	0.830508
6	NEU	0.533333	0.830508
7	HHS	0.517857	0.849057
8	BIO	0.483333	0.818182
9	PD8	0.454545	0.753846
10	PE0	0.442308	0.82

Similar Ligands (3D)

Ligand no: 1; Ligand: APC; Similar ligands found: 16

No:	Ligand	Similarity coefficient
1	GTP	0.9540
2	GH3	0.9510
3	2KH	0.9199
4	ADP ALF	0.9178
5	UTP	0.9039
6	DGT	0.9014
7	GNP	0.8983
8	CTP	0.8893
9	DCP	0.8885
10	GTP MG	0.8882
11	8DG	0.8837
12	DCT	0.8793
13	GSP	0.8789
14	GDP	0.8746
15	TTP	0.8740
16	ADP AF3	0.8583

Ligand no: 2; Ligand: HHR; Similar ligands found: 1084

No:	Ligand	Similarity coefficient
1	PH2	1.0000
2	ZZZ	0.9969
3	2K8	0.9885
4	B62	0.9813
5	QX4	0.9811
6	44W	0.9805
7	44V	0.9802
8	DQU	0.9801
9	9R5	0.9788
10	6ME	0.9785
11	0FO	0.9773
12	PRF	0.9759
13	XHP	0.9746
14	MVN	0.9741
15	OTW	0.9721
16	N8Y	0.9708
17	FDR	0.9705
18	PQ0	0.9607
19	8HC	0.9593
20	N0Z	0.9592
21	B56	0.9581
22	2FQ	0.9571
23	0FK	0.9569
24	UFO	0.9550
25	0TU	0.9548
26	3Z8	0.9527
27	4JQ	0.9522
28	4YO	0.9521
29	KUF	0.9508
30	MQN	0.9508
31	CLZ	0.9504
32	0P6	0.9496
33	3QV	0.9488
34	CWS	0.9476
35	ZYR	0.9475
36	2HQ	0.9468
37	8CM	0.9461
38	86J	0.9448
39	20J	0.9447
40	2EC	0.9443
41	2KA	0.9442
42	JF2	0.9432
43	8MO	0.9431
44	B5D	0.9426
45	TGX	0.9421
46	HBO	0.9418
47	DNA	0.9409
48	N2I	0.9405
49	94W	0.9401
50	BEA	0.9397
51	6Q3	0.9392
52	Q71	0.9391
53	4KL	0.9380
54	AJV	0.9370
55	BNX	0.9365
56	5TY	0.9363
57	GDL	0.9361
58	68A	0.9355
59	QBK	0.9352
60	Q77	0.9351
61	R9Y	0.9351
62	VOH	0.9350
63	XAZ	0.9349
64	URC	0.9345
65	KDV	0.9341
66	BCU	0.9339
67	15N	0.9339
68	8W9	0.9336
69	8ZE	0.9334
70	0JD	0.9334
71	HBI	0.9334
72	8WT	0.9328
73	EOL	0.9323
74	INE	0.9322
75	8NX	0.9319
76	J6W	0.9316
77	LOG	0.9313
78	H5B	0.9310
79	GJP	0.9310
80	8TX	0.9310
81	WSD	0.9309
82	NAG	0.9308
83	JU2	0.9306
84	VXX	0.9300
85	MUA	0.9297
86	5RO	0.9296
87	15E	0.9296
88	4RU	0.9295
89	E1T	0.9294
90	6E8	0.9289
91	1HN	0.9288
92	GXY	0.9288
93	K3Q	0.9285
94	APZ	0.9280
95	7AP	0.9276
96	7B3	0.9275
97	ROI	0.9273
98	SLS	0.9273
99	DX3	0.9271
100	3ZB	0.9270
101	MAQ	0.9269
102	ST2	0.9269
103	V1T	0.9265
104	JF1	0.9257
105	M1Q	0.9257
106	GCS	0.9254
107	344	0.9253
108	APS	0.9253
109	NGA	0.9253
110	6KT	0.9249
111	E7S	0.9249
112	ARP	0.9247
113	H4B	0.9245
114	M6N	0.9244
115	B55	0.9238
116	J9W	0.9237
117	12T	0.9233
118	B60	0.9232
119	5NE	0.9232
120	HKD	0.9232
121	UNJ	0.9228
122	2AK	0.9227
123	PYQ	0.9227
124	9ZE	0.9227
125	BTY	0.9226
126	FDB	0.9223
127	K97	0.9222
128	CK2	0.9221
129	H2B	0.9220
130	MO8	0.9216
131	JXW	0.9216
132	DPZ	0.9215
133	HNT	0.9215
134	4TU	0.9213
135	BGC	0.9212
136	Q24	0.9211
137	4AB	0.9210
138	AQO	0.9210
139	ESI	0.9210
140	4HC	0.9209
141	28N	0.9209
142	KT7	0.9206
143	3VX	0.9206
144	G3F	0.9205
145	AP4	0.9204
146	J9T	0.9204
147	JND	0.9203
148	AJ2	0.9200
149	JXZ	0.9199
150	0N7	0.9197
151	CWJ	0.9196
152	6VD	0.9192
153	2A9	0.9191
154	AA	0.9191
155	92P	0.9190
156	537	0.9189
157	CH9	0.9187
158	2BG	0.9185
159	E1K	0.9185
160	4ME	0.9185
161	IV2	0.9182
162	C9E	0.9182
163	AJY	0.9181
164	428	0.9181
165	MEW	0.9178
166	NDG	0.9177
167	N91	0.9176
168	THA	0.9175
169	AZ8	0.9174
170	BHS	0.9174
171	8WO	0.9174
172	M5K	0.9172
173	27B	0.9171
174	8S0	0.9167
175	BGU	0.9167
176	NID	0.9166
177	KTW	0.9164
178	TT4	0.9164
179	1KP	0.9163
180	MAG	0.9163
181	TWO	0.9162
182	ZSP	0.9162
183	ANF	0.9161
184	2FY	0.9158
185	TOF	0.9158
186	1A7	0.9156
187	DEE	0.9154
188	A2G	0.9153
189	GLC	0.9152
190	SOR	0.9151
191	MQG	0.9151
192	8IG	0.9151
193	3MG	0.9150
194	JG8	0.9149
195	0J5	0.9149
196	0XT	0.9148
197	61M	0.9148
198	BK9	0.9148
199	75K	0.9148
200	BBK	0.9146
201	OQC	0.9145
202	8XL	0.9144
203	BDP	0.9144
204	EN1	0.9140
205	A29	0.9139
206	1QP	0.9139
207	2LY	0.9137
208	PEY	0.9137
209	DRL	0.9137
210	7MU	0.9137
211	TTY	0.9136
212	DRG	0.9133
213	HQD	0.9133
214	K2T	0.9129
215	5WU	0.9122
216	COU	0.9120
217	KYA	0.9120
218	1SS	0.9120
219	MRW	0.9119
220	X0U	0.9118
221	4FS	0.9117
222	H42	0.9117
223	OCH	0.9116
224	GO8	0.9116
225	KIB	0.9115
226	97T	0.9114
227	MS9	0.9113
228	069	0.9113
229	LT2	0.9112
230	1M2	0.9111
231	03V	0.9110
232	BPU	0.9109
233	5QY	0.9107
234	2AQ	0.9104
235	D07	0.9104
236	A7H	0.9104
237	ES5	0.9103
238	5NS	0.9103
239	1F1	0.9103
240	TTL	0.9103
241	GAL	0.9101
242	4VS	0.9100
243	TIY	0.9099
244	GHM	0.9099
245	VK3	0.9099
246	FBB	0.9097
247	HA5	0.9097
248	1P7	0.9095
249	RZH	0.9095
250	46P	0.9094
251	NQ	0.9093
252	DHQ	0.9093
253	RXA	0.9089
254	7MX	0.9089
255	XIY	0.9089
256	DIN	0.9086
257	30G	0.9086
258	5XC	0.9086
259	4BY	0.9086
260	9FL	0.9085
261	TSS	0.9085
262	UAN	0.9084
263	MD6	0.9084
264	NDM	0.9083
265	H7Y	0.9078
266	AZ9	0.9076
267	2D0	0.9076
268	A7W	0.9075
269	5JL	0.9073
270	ES2	0.9072
271	9CA	0.9070
272	JBZ	0.9068
273	0FR	0.9068
274	AN3	0.9068
275	N7I	0.9068
276	5OB	0.9067
277	MR1	0.9067
278	DOB	0.9067
279	32X	0.9065
280	JTH	0.9065
281	0HN	0.9064
282	3PF	0.9064
283	4I8	0.9063
284	6NI	0.9062
285	C2Y	0.9060
286	L99	0.9060
287	I3A	0.9060
288	CFF	0.9058
289	0FN	0.9055
290	39O	0.9054
291	1IT	0.9054
292	BZ3	0.9054
293	5GV	0.9054
294	IAC	0.9053
295	DNF	0.9052
296	M0W	0.9052
297	GNM	0.9051
298	9FE	0.9050
299	209	0.9050
300	JXN	0.9049
301	LGC	0.9048
302	ESP	0.9047
303	J9Q	0.9047
304	5JQ	0.9046
305	GCU	0.9044
306	LZ2	0.9042
307	6X9	0.9042
308	4M4	0.9042
309	EUG	0.9042
310	RM1	0.9041
311	BA5	0.9041
312	JYT	0.9040
313	BZJ	0.9040
314	3A9	0.9039
315	ODO	0.9037
316	RH1	0.9037
317	V55	0.9036
318	ZVO	0.9035
319	8NB	0.9035
320	E7R	0.9035
321	0HO	0.9035
322	BHA	0.9035
323	FA0	0.9035
324	3DO	0.9034
325	0J4	0.9033
326	7VS	0.9032
327	5QX	0.9031
328	HLZ	0.9028
329	KW8	0.9027
330	3DM	0.9027
331	JDN	0.9025
332	W81	0.9025
333	6QF	0.9024
334	4JT	0.9023
335	B57	0.9021
336	E7Z	0.9020
337	M1H	0.9020
338	KMY	0.9020
339	XQ0	0.9019
340	H33	0.9019
341	LNR	0.9019
342	PXL	0.9018
343	AC2	0.9017
344	AEH	0.9017
345	6NT	0.9017
346	4MU	0.9017
347	ZEC	0.9017
348	E35	0.9015
349	2CZ	0.9014
350	4Z4	0.9013
351	KJH	0.9012
352	12Q	0.9012
353	QIV	0.9012
354	Z5P	0.9010
355	FLV	0.9009
356	SKA	0.9009
357	I3E	0.9009
358	42A	0.9008
359	KJU	0.9008
360	SKF	0.9007
361	NFM	0.9007
362	3J8	0.9006
363	5B1	0.9006
364	7W1	0.9004
365	KJY	0.9004
366	HHA	0.9004
367	SG2	0.9004
368	ICO	0.9003
369	EE8	0.9002
370	DBJ	0.9002
371	MIG	0.9002
372	ESX	0.9002
373	F9Y	0.9001
374	6FB	0.9001
375	TYL	0.9001
376	J5I	0.9000
377	1P8	0.9000
378	JAW	0.9000
379	SRO	0.8999
380	86L	0.8999
381	SYA	0.8996
382	PJW	0.8996
383	36R	0.8995
384	CLW	0.8995
385	2HU	0.8995
386	ABI	0.8994
387	7HQ	0.8993
388	VNL	0.8993
389	B61	0.8993
390	QAS	0.8993
391	9KT	0.8992
392	LDR	0.8991
393	4M0	0.8991
394	WS7	0.8991
395	7ME	0.8990
396	EUE	0.8990
397	7B4	0.8989
398	BPY	0.8988
399	SNG	0.8986
400	54X	0.8985
401	NSG	0.8984
402	FF2	0.8983
403	GC3	0.8983
404	GO2	0.8983
405	LDP	0.8982
406	S0E	0.8982
407	MS0	0.8982
408	4V2	0.8981
409	F0J	0.8981
410	JB8	0.8981
411	M0Q	0.8981
412	I6G	0.8981
413	SXS	0.8981
414	G3E	0.8980
415	L22	0.8980
416	JP2	0.8980
417	LZM	0.8979
418	SNO	0.8979
419	37T	0.8978
420	8Y7	0.8978
421	BZ2	0.8978
422	ST1	0.8977
423	549	0.8976
424	5RN	0.8976
425	M2K	0.8974
426	L46	0.8973
427	9LI	0.8973
428	CTL	0.8973
429	3NY	0.8973
430	92K	0.8972
431	AX3	0.8972
432	2ZM	0.8971
433	VGD	0.8970
434	4BL	0.8970
435	Q88	0.8970
436	SHG	0.8968
437	NDD	0.8968
438	EXD	0.8964
439	3R6	0.8963
440	FOT	0.8963
441	ADZ	0.8962
442	SE2	0.8961
443	JXK	0.8961
444	X8D	0.8961
445	GSY	0.8961
446	680	0.8960
447	HQT	0.8958
448	24W	0.8957
449	AMR	0.8956
450	2O6	0.8956
451	PNZ	0.8955
452	JB5	0.8954
453	OA3	0.8954
454	LI6	0.8953
455	ANC	0.8953
456	BQ2	0.8953
457	505	0.8953
458	EVA	0.8953
459	M4E	0.8952
460	226	0.8952
461	GJS	0.8951
462	5VM	0.8950
463	EMZ	0.8950
464	F4E	0.8949
465	5NI	0.8947
466	ZYQ	0.8946
467	D48	0.8946
468	5GU	0.8945
469	ASC	0.8945
470	GZL	0.8945
471	4BZ	0.8942
472	Y3L	0.8941
473	MNS	0.8941
474	JYB	0.8941
475	MWP	0.8941
476	5NU	0.8940
477	3R4	0.8938
478	NDH	0.8938
479	F5C	0.8938
480	ICB	0.8937
481	EGR	0.8936
482	64C	0.8936
483	PQK	0.8936
484	MFZ	0.8936
485	GCB	0.8935
486	3HA	0.8935
487	3GQ	0.8933
488	ASO	0.8933
489	FE DB1	0.8931
490	XDE	0.8931
491	ALE	0.8931
492	HRM	0.8930
493	IWT	0.8928
494	GI3	0.8928
495	5CU	0.8928
496	9AP	0.8927
497	ALL	0.8927
498	MSR	0.8927
499	F2W	0.8924
500	DBH	0.8924
501	SHA	0.8924
502	M5H	0.8924
503	KTJ	0.8924
504	CWM	0.8922
505	4NC	0.8922
506	HHT	0.8922
507	X11	0.8921
508	M78	0.8920
509	Q7A	0.8920
510	WOO	0.8920
511	ISN	0.8920
512	4AA	0.8918
513	XX2	0.8918
514	5WY	0.8917
515	GUN	0.8917
516	UNC	0.8916
517	E5X	0.8913
518	K37	0.8912
519	QAT	0.8912
520	PX7	0.8910
521	7ZE	0.8908
522	ET2	0.8908
523	G12	0.8907
524	3IT	0.8907
525	RNO	0.8907
526	INO	0.8906
527	PFB	0.8906
528	H4E	0.8905
529	9UL	0.8903
530	QPR	0.8902
531	0W8	0.8899
532	IOS	0.8898
533	LKA	0.8898
534	ONZ	0.8898
535	6FZ	0.8897
536	K82	0.8897
537	NIZ	0.8897
538	K68	0.8896
539	0W1	0.8896
540	B53	0.8896
541	JBK	0.8895
542	FQX	0.8894
543	AZA	0.8894
544	3F0	0.8894
545	7PJ	0.8894
546	9MG	0.8894
547	DPT	0.8893
548	CTS	0.8893
549	GZ8	0.8893
550	Q6T	0.8892
551	5WX	0.8892
552	N2M	0.8891
553	GTQ	0.8890
554	JUG	0.8890
555	R8V	0.8890
556	ANN	0.8890
557	IPB	0.8889
558	DDU	0.8889
559	DHB	0.8889
560	ES7	0.8888
561	2GS	0.8888
562	4V6	0.8888
563	2ZQ	0.8887
564	55D	0.8887
565	IGA	0.8887
566	X04	0.8885
567	I4D	0.8885
568	2GQ	0.8885
569	1SQ	0.8884
570	3M0	0.8884
571	52C	0.8884
572	BHQ	0.8883
573	K44	0.8883
574	NVU	0.8882
575	HJP	0.8881
576	5WV	0.8880
577	XAN	0.8880
578	DHC	0.8878
579	ES0	0.8877
580	XM5	0.8877
581	FHB	0.8877
582	2H5	0.8876
583	3Y7	0.8876
584	NNO	0.8876
585	NOY	0.8875
586	TH7	0.8875
587	PXM	0.8874
588	HA7	0.8874
589	F6P	0.8873
590	CG	0.8871
591	CHQ	0.8871
592	TSR	0.8870
593	N1E	0.8870
594	5LA	0.8869
595	GVG	0.8869
596	JBH	0.8868
597	HMH	0.8868
598	FHC	0.8868
599	SLC	0.8866
600	HQJ	0.8866
601	9DG	0.8865
602	9BF	0.8865
603	S60	0.8865
604	GF4	0.8864
605	7W4	0.8862
606	KP2	0.8861
607	NLA	0.8861
608	X05	0.8861
609	7I2	0.8860
610	SX1	0.8859
611	MOK	0.8859
612	EYV	0.8859
613	4A3	0.8859
614	54G	0.8858
615	GDE	0.8858
616	KKN	0.8858
617	1LQ	0.8858
618	EA1	0.8857
619	MAJ	0.8857
620	3RI	0.8856
621	5M0	0.8855
622	EJZ	0.8855
623	DGJ	0.8855
624	CIY	0.8854
625	2HC	0.8854
626	363	0.8851
627	IFL	0.8849
628	LZB	0.8848
629	06B	0.8847
630	4XV	0.8846
631	AMH	0.8846
632	3HM	0.8846
633	IL5	0.8846
634	1NP	0.8845
635	4NM	0.8845
636	5Q0	0.8844
637	5MK	0.8844
638	ES1	0.8844
639	DHK	0.8843
640	7VJ	0.8843
641	GM7	0.8843
642	SYV	0.8841
643	141	0.8841
644	SNU	0.8841
645	18N	0.8840
646	LAO	0.8838
647	A5E	0.8837
648	6RQ	0.8837
649	42C	0.8836
650	93K	0.8835
651	2F6	0.8835
652	K25	0.8835
653	4YS	0.8833
654	2F8	0.8833
655	4AN	0.8832
656	7NI	0.8832
657	2HO	0.8831
658	IBM	0.8831
659	YQA	0.8831
660	8H8	0.8831
661	CKA	0.8830
662	N5J	0.8830
663	4HM	0.8830
664	1LM	0.8830
665	A2F	0.8830
666	5SG	0.8829
667	HNQ	0.8829
668	0F9	0.8826
669	QMS	0.8826
670	PRZ	0.8826
671	GLA	0.8825
672	O72	0.8825
673	091	0.8824
674	SWA	0.8824
675	XFE	0.8821
676	1XM	0.8820
677	259	0.8820
678	5IQ	0.8820
679	64E	0.8820
680	878	0.8820
681	KJ5	0.8820
682	PDC	0.8820
683	JPZ	0.8819
684	QBM	0.8819
685	HX3	0.8818
686	6CS	0.8818
687	NGT	0.8818
688	NGW	0.8818
689	DNC	0.8817
690	6AP	0.8817
691	EVF	0.8817
692	D3G	0.8816
693	5V7	0.8816
694	6BL	0.8815
695	YZM	0.8815
696	5VL	0.8815
697	1L5	0.8815
698	5RG	0.8813
699	OTR	0.8813
700	57O	0.8813
701	BPN	0.8813
702	22L	0.8812
703	TZF	0.8811
704	HQY	0.8810
705	5OO	0.8810
706	N4E	0.8809
707	ST3	0.8808
708	IJZ	0.8808
709	2AL	0.8808
710	36M	0.8807
711	SKM	0.8807
712	CN0	0.8806
713	SOE	0.8806
714	GTC	0.8806
715	QUS	0.8805
716	K32	0.8805
717	AJ1	0.8804
718	G1O	0.8803
719	A7N	0.8801
720	NBG	0.8801
721	4XS	0.8801
722	21D	0.8800
723	NOJ	0.8799
724	K6X	0.8798
725	6GU	0.8798
726	MUR	0.8798
727	M1E	0.8798
728	MYJ	0.8797
729	CCV	0.8797
730	54Z	0.8796
731	7VP	0.8796
732	PMP	0.8796
733	FYU	0.8794
734	173	0.8792
735	PHH	0.8791
736	RA7	0.8791
737	CHB	0.8791
738	AZG	0.8788
739	3WA	0.8788
740	WS6	0.8788
741	36E	0.8788
742	2JK	0.8787
743	GOX	0.8787
744	EAE	0.8787
745	X0T	0.8785
746	CFA	0.8785
747	4XH	0.8785
748	JR2	0.8785
749	42J	0.8784
750	795	0.8783
751	G2F	0.8783
752	LYL	0.8783
753	7WR	0.8782
754	I2E	0.8780
755	C2U	0.8779
756	ISZ	0.8779
757	TXW	0.8779
758	OSB	0.8779
759	X09	0.8778
760	OW4	0.8777
761	R6T	0.8776
762	PPY	0.8776
763	IPD	0.8775
764	DK1	0.8774
765	JBQ	0.8774
766	DX4	0.8772
767	TEP	0.8772
768	P9E	0.8771
769	CFP	0.8771
770	GIV	0.8771
771	293	0.8771
772	HPT	0.8770
773	67N	0.8769
774	HH8	0.8769
775	BHO	0.8769
776	DBX	0.8767
777	AH9	0.8767
778	OVM	0.8765
779	MAN	0.8765
780	PD2	0.8763
781	290	0.8762
782	X0W	0.8761
783	ZME	0.8760
784	FTV	0.8760
785	8XQ	0.8759
786	FK1	0.8756
787	NQH	0.8756
788	NTZ	0.8756
789	6HP	0.8755
790	M1A	0.8754
791	K7H	0.8754
792	ZZT	0.8754
793	2FX	0.8754
794	F31	0.8752
795	NCT	0.8752
796	L5V	0.8751
797	PFL	0.8751
798	5WT	0.8750
799	AJG	0.8750
800	XQK	0.8749
801	5GT	0.8748
802	J9N	0.8748
803	HH5	0.8747
804	7FF	0.8746
805	L1O	0.8745
806	4NB	0.8745
807	NSP	0.8745
808	LQ2	0.8745
809	0NX	0.8744
810	TCR	0.8744
811	FP1	0.8744
812	HIS	0.8744
813	774	0.8742
814	GT0	0.8741
815	3XR	0.8741
816	9TW	0.8740
817	H4N	0.8740
818	DHY	0.8740
819	3MB	0.8739
820	1Z6	0.8739
821	CFI	0.8739
822	P9P	0.8738
823	DIU	0.8738
824	11S	0.8737
825	GLO	0.8737
826	HC4	0.8737
827	3ID	0.8735
828	GVY	0.8735
829	AKH	0.8734
830	YRL	0.8734
831	4NO	0.8732
832	RSV	0.8732
833	DMD	0.8731
834	ONR	0.8731
835	YH7	0.8730
836	ENO	0.8729
837	L14	0.8728
838	F1A	0.8727
839	4SX	0.8727
840	EV2	0.8726
841	R20	0.8722
842	GTR	0.8721
843	BOA	0.8720
844	CPZ	0.8719
845	EQT	0.8717
846	49O	0.8717
847	CXH	0.8717
848	8GK	0.8717
849	0CU	0.8715
850	X0V	0.8715
851	OW7	0.8714
852	1GN	0.8714
853	T1N	0.8712
854	HX4	0.8712
855	EV3	0.8710
856	PZI	0.8710
857	149	0.8709
858	QSB	0.8708
859	ES9	0.8707
860	1QV	0.8705
861	MQB	0.8705
862	ORO	0.8703
863	ABV	0.8702
864	JY2	0.8700
865	FBM	0.8700
866	2QC	0.8699
867	TJM	0.8699
868	45L	0.8698
869	1U6	0.8696
870	12B	0.8695
871	F4K	0.8693
872	GXL	0.8693
873	GOE	0.8693
874	C53	0.8693
875	9KZ	0.8693
876	NPX	0.8693
877	S98	0.8693
878	8U3	0.8692
879	D2G	0.8692
880	261	0.8692
881	8OZ	0.8692
882	QWN	0.8691
883	PRL	0.8690
884	OXC	0.8690
885	39A	0.8689
886	MT0	0.8688
887	M6Z	0.8688
888	J01	0.8687
889	FUD	0.8687
890	9TZ	0.8686
891	K4V	0.8685
892	EV0	0.8684
893	KG1	0.8684
894	BZX	0.8684
895	N3W	0.8683
896	AMG	0.8682
897	G6P	0.8682
898	KOJ	0.8682
899	ADA	0.8681
900	AY4	0.8680
901	GI1	0.8679
902	9H2	0.8679
903	4P5	0.8679
904	2FG	0.8678
905	K22	0.8678
906	DX1	0.8677
907	S0G	0.8677
908	JY4	0.8676
909	G14	0.8676
910	ZZA	0.8675
911	MBG	0.8675
912	8NY	0.8674
913	S8A	0.8674
914	5OF	0.8674
915	4A5	0.8674
916	F69	0.8673
917	IHB	0.8673
918	TYR	0.8671
919	VC2	0.8670
920	C8O	0.8670
921	BCP	0.8670
922	67X	0.8670
923	GAF	0.8669
924	495	0.8669
925	PBA	0.8669
926	IFP	0.8668
927	5MI	0.8667
928	SN4	0.8667
929	PHE	0.8667
930	HMU	0.8665
931	PLP	0.8663
932	7O4	0.8662
933	OVP	0.8660
934	582	0.8659
935	BIK	0.8658
936	B0K	0.8658
937	24B	0.8658
938	9PY	0.8657
939	B52	0.8656
940	QQQ	0.8655
941	DUR	0.8654
942	AH6	0.8654
943	UEG	0.8653
944	6M9	0.8653
945	FBG	0.8652
946	1XN	0.8651
947	6TZ	0.8651
948	5MB	0.8650
949	GCV	0.8650
950	NGO	0.8650
951	4WL	0.8649
952	HLD	0.8649
953	14O	0.8648
954	6HO	0.8648
955	QSH	0.8648
956	HZQ	0.8647
957	MPK	0.8647
958	BMA	0.8647
959	A65	0.8646
960	RD4	0.8646
961	4LW	0.8645
962	JTA	0.8644
963	OCZ	0.8644
964	36Y	0.8643
965	X6X	0.8641
966	FGZ	0.8640
967	TAG	0.8640
968	JVN	0.8640
969	F60	0.8639
970	XCG	0.8639
971	GC2	0.8638
972	X48	0.8638
973	5VJ	0.8638
974	2J1	0.8637
975	YZ9	0.8636
976	EKZ	0.8635
977	GNV	0.8633
978	BNT	0.8632
979	YSO	0.8631
980	2MI	0.8630
981	NPS	0.8630
982	717	0.8630
983	THM	0.8629
984	AX7	0.8629
985	XXP	0.8627
986	SQ7	0.8627
987	4ZA	0.8627
988	3FH	0.8627
989	5H1	0.8626
990	D1X	0.8626
991	E1P	0.8625
992	6AI	0.8624
993	GZ2	0.8624
994	2SX	0.8624
995	XQG	0.8623
996	TPA	0.8622
997	AW5	0.8621
998	EYK	0.8620
999	PUE	0.8618
1000	TRP	0.8615
1001	BSP	0.8612
1002	2D3	0.8612
1003	TMG	0.8611
1004	96R	0.8610
1005	GCO	0.8610
1006	3VQ	0.8609
1007	0RW	0.8608
1008	4VY	0.8608
1009	MXD	0.8608
1010	QX2	0.8607
1011	M5N	0.8607
1012	CNI	0.8605
1013	IQZ	0.8603
1014	372	0.8603
1015	SYE	0.8603
1016	DHR	0.8602
1017	ODK	0.8600
1018	JGB	0.8600
1019	0BP	0.8599
1020	3VS	0.8599
1021	657	0.8598
1022	GAB	0.8598
1023	2K4	0.8596
1024	6M1	0.8596
1025	QWW	0.8595
1026	L1Q	0.8594
1027	B2J	0.8593
1028	LO1	0.8592
1029	4CS	0.8592
1030	CSN	0.8590
1031	DOR	0.8590
1032	F12	0.8590
1033	XXR	0.8589
1034	TQU	0.8589
1035	2PV	0.8586
1036	LIP	0.8584
1037	25W	0.8584
1038	270	0.8583
1039	E3D	0.8582
1040	2PK	0.8582
1041	GNY	0.8580
1042	QXW	0.8580
1043	GRE	0.8580
1044	1XA	0.8579
1045	GOJ	0.8578
1046	GYE	0.8578
1047	P7Y	0.8577
1048	OMD	0.8577
1049	JAE	0.8575
1050	3N1	0.8575
1051	M1Z	0.8572
1052	5TZ	0.8571
1053	6DP	0.8569
1054	RVE	0.8569
1055	2UZ	0.8569
1056	6F0	0.8568
1057	JLZ	0.8568
1058	F05	0.8567
1059	6L6	0.8567
1060	K17	0.8564
1061	6R8	0.8563
1062	II4	0.8563
1063	5XL	0.8558
1064	KGK	0.8557
1065	NPO	0.8557
1066	3NT	0.8556
1067	L7T	0.8555
1068	BNL	0.8555
1069	0GZ	0.8554
1070	P72	0.8554
1071	PHU	0.8554
1072	QNA	0.8552
1073	PHB	0.8552
1074	QUZ	0.8544
1075	RMN	0.8543
1076	R2P	0.8537
1077	YIO	0.8534
1078	3AB	0.8533
1079	1WG	0.8526
1080	96U	0.8520
1081	DE5	0.8517
1082	4MA	0.8513
1083	PIY	0.8512
1084	GJK	0.8504

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

Pocket No.: 1; Query (leader) PDB : 7KDR; Ligand: J1L; 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: 7kdr.bio1) has 48 residues
No:	Leader PDB	Ligand	Sequence Similarity

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