• Home
• Faq
• Browse
• Search
• Download
• Contact Us

Help?

Showing PDB: 4M5N

Navigate

Expand All | Collapse All

Receptor | Ligand | View in 3D

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

External Links

|

Download

      Structure Biounit | Ligand Information

PDB           : .ZIP | .CSV

Family 90% : .ZIP | .CSV

Class         : .ZIP | .CSV

Receptor

PDB id	Resolution	Class	Description	Source	Keywords
4M5N	2 Å	EC: 2.7.6.3	THE IDENTIFICATION, ANALYSIS AND STRUCTURE-BASED DEVELOPMENT INHIBITORS OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHO	ESCHERICHIA COLI	FOLATE BIOSYNTHESIS DIPHOSPHOTRANSFERASES PTERIN ATP BINDINHIBITOR TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.:	THE IDENTIFICATION, ANALYSIS AND STRUCTURE-BASED DE OF NOVEL INHIBITORS OF 6-HYDROXYMETHYL-7,8-DIHYDROP PYROPHOSPHOKINASE. BIOORG.MED.CHEM. V. 22 2157 2014

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	NGL Viewer	Molecular Weight (Da)	Formula	SMILES
MG	B:202; A:502; A:501; B:201;	Part of Protein; Part of Protein; Part of Protein; Part of Protein;	none; none; none; none;	submit data		24.305	Mg	[Mg+2...
YH7	B:204; A:504;	Valid; Valid;	none; none;	Kd = 7.5 uM		167.192	C5 H5 N5 S	C1=NC...
APC	A:503; B:203;	Valid; Valid;	none; none;	submit data		505.208	C11 H18 N5 O12 P3	c1nc(...

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: YH7; Similar ligands found: 1

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	YH7	1	1

Ligand no: 2; 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

Similar Ligands (3D)

Ligand no: 1; Ligand: YH7; Similar ligands found: 1154

No:	Ligand	Similarity coefficient
1	1XM	1.0000
2	6AP	1.0000
3	9DG	1.0000
4	GUN	1.0000
5	XAN	1.0000
6	0CU	0.9993
7	AZA	0.9981
8	A2F	0.9981
9	BOA	0.9963
10	AZG	0.9956
11	141	0.9953
12	IGA	0.9953
13	BCP	0.9952
14	6GU	0.9950
15	DX4	0.9948
16	290	0.9901
17	CFP	0.9891
18	HH5	0.9826
19	PE0	0.9815
20	BGC	0.9815
21	AZ8	0.9809
22	M5K	0.9798
23	M6N	0.9797
24	Q24	0.9789
25	AJ2	0.9782
26	URC	0.9772
27	MEW	0.9771
28	AQO	0.9757
29	5JQ	0.9756
30	J9W	0.9737
31	4HC	0.9730
32	75K	0.9719
33	RM1	0.9712
34	9MG	0.9708
35	XAZ	0.9706
36	NOJ	0.9700
37	B55	0.9690
38	BTY	0.9685
39	G6D	0.9676
40	FDB	0.9675
41	B53	0.9670
42	M1Q	0.9665
43	BZX	0.9663
44	GLC	0.9661
45	8TX	0.9656
46	FK1	0.9654
47	XQG	0.9652
48	5JL	0.9651
49	5MI	0.9642
50	5MB	0.9638
51	ES9	0.9635
52	FYU	0.9627
53	ADE	0.9622
54	7WA	0.9621
55	10L	0.9619
56	BTE	0.9617
57	5H1	0.9616
58	HPA	0.9616
59	XYP	0.9616
60	H4N	0.9615
61	8IG	0.9611
62	6AI	0.9609
63	F60	0.9607
64	I3A	0.9605
65	25W	0.9605
66	2K4	0.9604
67	14O	0.9601
68	QBK	0.9600
69	5OB	0.9596
70	11S	0.9591
71	7HP	0.9587
72	LZM	0.9582
73	G3F	0.9582
74	1XN	0.9579
75	6MP	0.9576
76	42A	0.9575
77	BZ3	0.9574
78	HJP	0.9574
79	AHR	0.9573
80	6VD	0.9569
81	BP1	0.9557
82	5XC	0.9553
83	M1E	0.9553
84	9HX	0.9552
85	5Q0	0.9550
86	HQY	0.9547
87	ES4	0.9546
88	SVN	0.9543
89	PM6	0.9542
90	5SG	0.9538
91	LXC	0.9533
92	9DA	0.9531
93	5RG	0.9529
94	GCS	0.9529
95	8NY	0.9527
96	HMH	0.9526
97	1NP	0.9524
98	BE2	0.9524
99	4M0	0.9524
100	5IQ	0.9522
101	ES0	0.9519
102	ES1	0.9517
103	JBE	0.9517
104	M0W	0.9517
105	7HQ	0.9516
106	3F0	0.9516
107	SAL	0.9515
108	7VS	0.9513
109	N5J	0.9511
110	4YS	0.9510
111	O72	0.9509
112	VK3	0.9509
113	8S0	0.9509
114	7NI	0.9507
115	0RW	0.9502
116	3M0	0.9501
117	JAE	0.9500
118	1LM	0.9500
119	M1A	0.9500
120	HMU	0.9500
121	S76	0.9500
122	M0Q	0.9498
123	GAL	0.9498
124	NQ	0.9497
125	24W	0.9496
126	2AQ	0.9495
127	JB5	0.9495
128	MR1	0.9495
129	UAN	0.9494
130	MUA	0.9494
131	UNC	0.9494
132	1LQ	0.9492
133	JIF	0.9491
134	1P7	0.9488
135	JPZ	0.9487
136	JBH	0.9487
137	EA1	0.9487
138	FA0	0.9486
139	DBH	0.9485
140	5CU	0.9485
141	3HA	0.9483
142	1SQ	0.9479
143	COU	0.9477
144	5WX	0.9474
145	67N	0.9473
146	5B1	0.9472
147	BHA	0.9471
148	7B4	0.9469
149	FE DB1	0.9468
150	4SV	0.9468
151	RXA	0.9467
152	OXC	0.9466
153	5NU	0.9464
154	ES5	0.9461
155	HLR	0.9460
156	2A7	0.9459
157	T6C	0.9459
158	DRL	0.9458
159	03V	0.9457
160	RSF	0.9456
161	OCH	0.9454
162	4XH	0.9451
163	8GC	0.9451
164	9EW	0.9448
165	4FS	0.9447
166	44W	0.9445
167	HLZ	0.9444
168	1P8	0.9444
169	6M9	0.9440
170	EQT	0.9439
171	CWM	0.9438
172	2AK	0.9436
173	DMD	0.9435
174	NMJ	0.9435
175	B57	0.9435
176	AZ9	0.9433
177	F9Y	0.9432
178	F05	0.9428
179	CLW	0.9427
180	3NT	0.9424
181	HH8	0.9424
182	QWN	0.9422
183	ZZT	0.9422
184	VGD	0.9420
185	ZZ3	0.9420
186	ADK	0.9419
187	36R	0.9418
188	GAB	0.9416
189	M1H	0.9416
190	DOB	0.9415
191	ADZ	0.9414
192	Q6T	0.9414
193	JZ3	0.9412
194	4CS	0.9411
195	ET2	0.9409
196	12B	0.9408
197	H42	0.9408
198	82I	0.9406
199	ES6	0.9405
200	HQD	0.9405
201	F5B	0.9404
202	FP1	0.9403
203	ORO	0.9402
204	TEP	0.9401
205	7WV	0.9400
206	1WD	0.9399
207	C2U	0.9399
208	35C	0.9397
209	XHP	0.9395
210	2D0	0.9394
211	UEG	0.9394
212	FOT	0.9392
213	EXO	0.9392
214	JKE	0.9388
215	IJZ	0.9388
216	4MU	0.9388
217	7MH	0.9387
218	261	0.9387
219	GIO	0.9385
220	Q88	0.9384
221	23A	0.9383
222	DBJ	0.9380
223	HHA	0.9380
224	SWD	0.9380
225	6M4	0.9379
226	ES2	0.9378
227	3ID	0.9378
228	D07	0.9378
229	5HN	0.9374
230	3U4	0.9373
231	GTQ	0.9373
232	VNL	0.9373
233	2ZQ	0.9372
234	MO8	0.9372
235	OTW	0.9371
236	B60	0.9370
237	KIA	0.9370
238	KIB	0.9370
239	QXW	0.9369
240	3MA	0.9369
241	FUL	0.9369
242	AKH	0.9368
243	OVV	0.9366
244	3HB	0.9365
245	24B	0.9365
246	QX4	0.9361
247	DOR	0.9361
248	1DW	0.9361
249	WCE	0.9360
250	3AB	0.9360
251	5M0	0.9358
252	PRZ	0.9358
253	5VM	0.9357
254	QPR	0.9356
255	3BZ	0.9355
256	GRE	0.9355
257	AW5	0.9352
258	0R0	0.9351
259	34D	0.9350
260	0N7	0.9348
261	MT0	0.9348
262	5RN	0.9348
263	BRT	0.9347
264	42C	0.9347
265	54G	0.9347
266	8H8	0.9345
267	ISE	0.9344
268	37T	0.9342
269	3DM	0.9341
270	KT7	0.9340
271	OVM	0.9339
272	7ZE	0.9338
273	6F0	0.9338
274	3MB	0.9335
275	7W4	0.9333
276	TH7	0.9333
277	4JP	0.9332
278	DQU	0.9331
279	B62	0.9331
280	DIU	0.9330
281	5WY	0.9330
282	NDM	0.9329
283	6CS	0.9328
284	495	0.9327
285	XQ0	0.9327
286	BZI	0.9327
287	2H5	0.9326
288	5MK	0.9323
289	ISN	0.9322
290	4JT	0.9320
291	G5V	0.9318
292	680	0.9315
293	4ME	0.9313
294	F81	0.9312
295	5UC	0.9312
296	2ZV	0.9311
297	2DR	0.9311
298	MVN	0.9310
299	44V	0.9310
300	53C	0.9309
301	0P6	0.9307
302	2EC	0.9305
303	7W1	0.9303
304	CTS	0.9303
305	DFB	0.9303
306	TDR	0.9302
307	R8A	0.9302
308	R8V	0.9301
309	IND	0.9300
310	0R1	0.9300
311	GAG	0.9300
312	5WV	0.9299
313	PXL	0.9299
314	ICO	0.9299
315	329	0.9298
316	JFD	0.9298
317	0FO	0.9296
318	BR8	0.9296
319	SX1	0.9295
320	0CT	0.9295
321	MAQ	0.9294
322	149	0.9294
323	HZQ	0.9290
324	K17	0.9290
325	LZ1	0.9290
326	6UA	0.9288
327	PFB	0.9288
328	6ME	0.9286
329	XXR	0.9286
330	TBP	0.9285
331	MPI	0.9284
332	URF	0.9284
333	NK	0.9283
334	2AL	0.9282
335	NTM	0.9281
336	BZF	0.9280
337	13X	0.9280
338	6M1	0.9279
339	NPY	0.9278
340	NID	0.9276
341	YSO	0.9276
342	QUZ	0.9275
343	39A	0.9273
344	3MG	0.9273
345	60P	0.9272
346	LSA	0.9272
347	KJY	0.9272
348	INE	0.9272
349	DEN	0.9272
350	F12	0.9271
351	XYS	0.9271
352	GVH	0.9270
353	286	0.9268
354	5ZE	0.9268
355	LGC	0.9268
356	MCT	0.9267
357	KKN	0.9266
358	GBD	0.9264
359	2HQ	0.9261
360	8ZE	0.9261
361	ASO	0.9260
362	PYQ	0.9260
363	47J	0.9258
364	0W8	0.9258
365	WBU	0.9257
366	AX2	0.9257
367	KYA	0.9256
368	5AN	0.9253
369	3AY	0.9252
370	12Q	0.9250
371	1PT	0.9250
372	N2I	0.9249
373	TBS	0.9248
374	D1X	0.9248
375	A7W	0.9247
376	OXQ	0.9247
377	4AA	0.9245
378	GLA	0.9243
379	86J	0.9237
380	3WA	0.9236
381	9TZ	0.9236
382	2FG	0.9236
383	HY3	0.9236
384	ODO	0.9236
385	TH0	0.9234
386	RM4	0.9234
387	CWJ	0.9233
388	KYD	0.9232
389	SHG	0.9232
390	2ZX	0.9231
391	K2T	0.9229
392	GYE	0.9227
393	SHA	0.9226
394	JBQ	0.9225
395	3SK	0.9225
396	TSS	0.9225
397	5QX	0.9224
398	NSP	0.9223
399	4HO	0.9223
400	DIE	0.9223
401	CWS	0.9222
402	ICP	0.9221
403	5QY	0.9221
404	HQT	0.9220
405	R8S	0.9218
406	A13	0.9218
407	PYG	0.9218
408	4ZC	0.9217
409	PHT	0.9217
410	0JD	0.9216
411	DHQ	0.9215
412	MBD	0.9215
413	ES7	0.9214
414	JBK	0.9211
415	RPQ	0.9210
416	3RK	0.9210
417	KJH	0.9208
418	CTL	0.9207
419	FBB	0.9206
420	1MC	0.9206
421	MZG	0.9206
422	32X	0.9205
423	IDM	0.9205
424	II6	0.9205
425	WDL	0.9204
426	ABV	0.9202
427	RNS	0.9202
428	8CM	0.9201
429	BBF	0.9201
430	3XX	0.9201
431	SWA	0.9197
432	TTL	0.9196
433	4HM	0.9196
434	BMA	0.9196
435	CFF	0.9195
436	2CQ	0.9195
437	4JO	0.9194
438	5JC	0.9194
439	X05	0.9190
440	OW4	0.9190
441	ERH	0.9190
442	MWJ	0.9189
443	M2K	0.9188
444	KJU	0.9188
445	3CE	0.9188
446	BCF	0.9188
447	4XR	0.9188
448	51R	0.9185
449	3FA	0.9184
450	1WG	0.9183
451	VNJ	0.9183
452	IFL	0.9183
453	6MH	0.9183
454	270	0.9182
455	AX7	0.9182
456	INS	0.9182
457	FUC	0.9181
458	X09	0.9180
459	MWM	0.9180
460	HFB	0.9180
461	MFB	0.9180
462	K8X	0.9178
463	2MY	0.9174
464	7VJ	0.9173
465	4CL	0.9171
466	PXM	0.9169
467	XBZ	0.9169
468	2C9	0.9167
469	2CM	0.9167
470	FCB	0.9166
471	PDC	0.9164
472	3PF	0.9163
473	7CZ	0.9161
474	KDV	0.9160
475	43M	0.9160
476	27Y	0.9160
477	MS9	0.9158
478	P92	0.9156
479	ARB	0.9156
480	KUF	0.9155
481	IBF	0.9154
482	DHK	0.9153
483	GIV	0.9153
484	2CK	0.9150
485	IUR	0.9150
486	6NT	0.9150
487	1P3	0.9150
488	JUG	0.9149
489	E7Z	0.9148
490	BR9	0.9148
491	M2H	0.9147
492	4JJ	0.9147
493	45C	0.9146
494	GDE	0.9145
495	MBG	0.9145
496	92K	0.9144
497	P3K	0.9143
498	PHH	0.9142
499	4ZE	0.9142
500	NPO	0.9142
501	MRW	0.9140
502	JZ9	0.9140
503	1F1	0.9140
504	GMN	0.9140
505	2ZM	0.9135
506	G1O	0.9135
507	150	0.9135
508	BK9	0.9134
509	IV2	0.9134
510	PQ0	0.9134
511	Z5P	0.9134
512	LKA	0.9134
513	F0J	0.9132
514	2MI	0.9132
515	3OC	0.9131
516	3NY	0.9129
517	9KT	0.9128
518	G2F	0.9128
519	2AC	0.9126
520	D48	0.9126
521	3Z7	0.9126
522	IPZ	0.9126
523	DUB	0.9125
524	284	0.9125
525	APZ	0.9123
526	G3E	0.9123
527	0HN	0.9122
528	BEA	0.9121
529	0TR	0.9120
530	3MC	0.9120
531	BEZ	0.9119
532	KOJ	0.9119
533	NCA	0.9117
534	IFM	0.9117
535	CRS	0.9117
536	GCU	0.9117
537	PRF	0.9116
538	5AC	0.9115
539	BHO	0.9115
540	ABI	0.9114
541	FFP	0.9114
542	SOE	0.9113
543	5MH	0.9112
544	IDH	0.9108
545	2BG	0.9107
546	RAM	0.9107
547	2HU	0.9105
548	1GN	0.9105
549	SKA	0.9104
550	BEN	0.9102
551	2YU	0.9102
552	94W	0.9100
553	SYV	0.9099
554	A1U	0.9099
555	XYD	0.9099
556	WOO	0.9099
557	SE2	0.9098
558	6NI	0.9098
559	HBA	0.9098
560	AZF	0.9098
561	SXS	0.9097
562	RCO	0.9097
563	DIN	0.9096
564	FLM	0.9095
565	9R5	0.9095
566	PYD	0.9094
567	TWO	0.9093
568	2MP	0.9092
569	BDP	0.9092
570	OAA	0.9092
571	FPY	0.9091
572	URA	0.9091
573	IPB	0.9090
574	3A9	0.9090
575	FUF	0.9089
576	XIY	0.9089
577	YCP	0.9088
578	OXZ	0.9087
579	V55	0.9086
580	5NI	0.9085
581	34A	0.9083
582	FBG	0.9083
583	2A9	0.9080
584	14J	0.9080
585	FB1	0.9080
586	0MK	0.9080
587	JZ2	0.9078
588	3CH	0.9077
589	0HO	0.9076
590	PZA	0.9076
591	CYT	0.9076
592	TTY	0.9075
593	7B3	0.9074
594	J5I	0.9074
595	3DO	0.9073
596	RIB	0.9073
597	3IT	0.9071
598	3Z8	0.9070
599	TM7	0.9069
600	KLW	0.9068
601	JAW	0.9067
602	JB8	0.9067
603	NOY	0.9065
604	3FH	0.9064
605	6PC	0.9064
606	F4Z	0.9063
607	209	0.9062
608	HIS	0.9061
609	7ME	0.9060
610	QOS	0.9060
611	LG3	0.9060
612	GIF	0.9058
613	BAM	0.9057
614	H33	0.9054
615	275	0.9054
616	LI6	0.9053
617	HT4	0.9052
618	QWW	0.9051
619	ZZ8	0.9050
620	2FQ	0.9050
621	B3R	0.9050
622	X6X	0.9049
623	QX2	0.9046
624	EYK	0.9045
625	HGQ	0.9045
626	3MH	0.9045
627	AUD	0.9045
628	HLD	0.9043
629	26D	0.9043
630	4JQ	0.9042
631	8WT	0.9042
632	LG5	0.9042
633	NDH	0.9038
634	NIO	0.9038
635	BVF	0.9038
636	NBZ	0.9037
637	PHB	0.9037
638	BCU	0.9035
639	HHQ	0.9035
640	IP0	0.9035
641	VOH	0.9034
642	FCA	0.9033
643	6RQ	0.9032
644	GZ8	0.9031
645	RIP	0.9031
646	DHB	0.9029
647	2LP	0.9028
648	AIN	0.9028
649	JDN	0.9027
650	N8Y	0.9027
651	R9S	0.9026
652	PAB	0.9025
653	RHU	0.9025
654	FQI	0.9024
655	Z82	0.9024
656	FGZ	0.9022
657	5RO	0.9022
658	4M4	0.9022
659	EUG	0.9020
660	HEW	0.9018
661	GJS	0.9016
662	4YO	0.9016
663	TOF	0.9015
664	2FY	0.9013
665	CLZ	0.9013
666	5GU	0.9013
667	XM0	0.9013
668	TCZ	0.9011
669	P9P	0.9010
670	12M	0.9010
671	8WO	0.9010
672	MAN	0.9010
673	G4D	0.9010
674	ZWZ	0.9009
675	INO	0.9009
676	K32	0.9008
677	MQN	0.9007
678	EV0	0.9007
679	GM7	0.9006
680	4XV	0.9006
681	F3B	0.9005
682	KBG	0.9004
683	DBX	0.9003
684	J9T	0.9003
685	JZ1	0.9003
686	TFU	0.9003
687	0GZ	0.9002
688	BSX	0.9002
689	GOJ	0.9002
690	HNQ	0.9002
691	4Z4	0.9001
692	PX7	0.9001
693	4VP	0.9001
694	UNU	0.9000
695	FBT	0.8999
696	MYJ	0.8998
697	MWP	0.8997
698	VGL	0.8996
699	QAS	0.8996
700	2F6	0.8996
701	4TU	0.8995
702	15L	0.8995
703	YQA	0.8994
704	AGK	0.8994
705	HX3	0.8994
706	20J	0.8993
707	7MU	0.8992
708	M3T	0.8991
709	OA3	0.8990
710	TC7	0.8990
711	ZVO	0.8989
712	OVP	0.8988
713	FPK	0.8986
714	FRU	0.8986
715	PA1	0.8985
716	4NC	0.8983
717	XX2	0.8983
718	PD2	0.8983
719	JTH	0.8983
720	EVA	0.8983
721	4FA	0.8982
722	HXX	0.8981
723	H76	0.8981
724	OMD	0.8981
725	Y8I	0.8980
726	AJV	0.8979
727	AS3	0.8979
728	ISZ	0.8979
729	8GF	0.8979
730	URP	0.8979
731	DPZ	0.8978
732	YIO	0.8978
733	0TU	0.8976
734	DFU	0.8976
735	LCN	0.8975
736	GXY	0.8974
737	717	0.8974
738	E5X	0.8973
739	DQN	0.8971
740	URQ	0.8971
741	NTZ	0.8970
742	FBV	0.8969
743	MLT	0.8968
744	5CL	0.8967
745	TLD	0.8966
746	2MN	0.8965
747	PCI	0.8965
748	O2A	0.8964
749	QAT	0.8964
750	7WR	0.8964
751	DGJ	0.8964
752	94N	0.8963
753	GOG	0.8962
754	K5W	0.8961
755	4H2	0.8961
756	GAF	0.8961
757	3ZQ	0.8961
758	NNO	0.8959
759	K6X	0.8959
760	GOO	0.8959
761	1M2	0.8958
762	LT2	0.8956
763	AEZ	0.8956
764	XBT	0.8956
765	K22	0.8954
766	DMJ	0.8954
767	92P	0.8954
768	GV9	0.8953
769	GXL	0.8953
770	9TW	0.8951
771	GCB	0.8951
772	P72	0.8950
773	40O	0.8950
774	3R6	0.8949
775	CAQ	0.8948
776	PBZ	0.8947
777	C2A	0.8945
778	8G0	0.8944
779	Q7A	0.8944
780	0F9	0.8944
781	L3Q	0.8944
782	CHB	0.8943
783	97T	0.8943
784	GZL	0.8942
785	92Z	0.8942
786	CIG	0.8940
787	NTN	0.8937
788	L89	0.8937
789	DUC	0.8937
790	93K	0.8936
791	23W	0.8936
792	3HM	0.8935
793	DNC	0.8931
794	HA5	0.8931
795	NIZ	0.8930
796	J9Q	0.8930
797	BSP	0.8929
798	FBU	0.8929
799	PAF	0.8929
800	PZI	0.8929
801	GTZ	0.8927
802	HTP	0.8927
803	SKM	0.8926
804	15N	0.8925
805	BDF	0.8925
806	8XQ	0.8924
807	MVL	0.8924
808	E1T	0.8923
809	938	0.8923
810	N7P	0.8922
811	C2Y	0.8921
812	MNM	0.8921
813	HA7	0.8921
814	PEY	0.8920
815	4A3	0.8919
816	1Y6	0.8918
817	FHB	0.8915
818	2HO	0.8913
819	GTR	0.8913
820	GIM	0.8912
821	I1N	0.8910
822	ABE	0.8908
823	JA8	0.8907
824	OTD	0.8907
825	4XS	0.8906
826	6X8	0.8905
827	CFI	0.8903
828	MSN	0.8903
829	4MA	0.8902
830	GTL	0.8902
831	174	0.8899
832	173	0.8899
833	Q71	0.8899
834	OXE	0.8898
835	SF9	0.8897
836	ZB1	0.8897
837	X8D	0.8895
838	2LY	0.8894
839	GCO	0.8894
840	JLZ	0.8893
841	IHB	0.8893
842	AX3	0.8893
843	LG4	0.8893
844	FP2	0.8892
845	1AN	0.8891
846	F31	0.8890
847	XUL	0.8890
848	SYA	0.8890
849	MZB	0.8890
850	1DV	0.8889
851	826	0.8888
852	HBD	0.8888
853	BEW	0.8888
854	ARA	0.8888
855	4PW	0.8888
856	8LG	0.8886
857	XCZ	0.8885
858	FDK	0.8885
859	0FN	0.8885
860	280	0.8885
861	NVU	0.8883
862	PNZ	0.8882
863	2CH	0.8882
864	93Q	0.8882
865	4JU	0.8881
866	9FE	0.8879
867	76X	0.8879
868	9TY	0.8879
869	9FL	0.8877
870	23J	0.8877
871	SOR	0.8875
872	ENL	0.8875
873	PFL	0.8874
874	5NE	0.8872
875	SS1	0.8871
876	PCR	0.8871
877	TGX	0.8870
878	3BU	0.8870
879	39U	0.8870
880	QSH	0.8870
881	ANN	0.8869
882	2AF	0.8869
883	NGO	0.8868
884	SW7	0.8867
885	GOX	0.8865
886	4HS	0.8865
887	PKU	0.8863
888	PLQ	0.8863
889	B5D	0.8861
890	SRO	0.8860
891	FH2	0.8858
892	SVD	0.8858
893	4JM	0.8856
894	PCA	0.8855
895	H8N	0.8853
896	DYA	0.8852
897	QSC	0.8850
898	HTS	0.8850
899	V6F	0.8850
900	EKZ	0.8849
901	JZ0	0.8848
902	AMG	0.8847
903	CN0	0.8846
904	ALL	0.8846
905	PH2	0.8845
906	JKZ	0.8844
907	AC0	0.8841
908	B2J	0.8841
909	PRY	0.8840
910	NEQ	0.8839
911	DNA	0.8838
912	W81	0.8838
913	6OT	0.8837
914	KBB	0.8836
915	I6G	0.8836
916	8OZ	0.8835
917	LMR	0.8833
918	EJZ	0.8833
919	4P5	0.8833
920	KPL	0.8832
921	6LW	0.8831
922	SR1	0.8831
923	HQJ	0.8831
924	HQE	0.8830
925	282	0.8829
926	RMN	0.8828
927	25R	0.8828
928	DA1	0.8827
929	1U6	0.8827
930	6BL	0.8826
931	R9Y	0.8825
932	1DU	0.8825
933	PBA	0.8824
934	PXY	0.8824
935	DHR	0.8822
936	FPN	0.8817
937	FBW	0.8814
938	4BZ	0.8812
939	8GK	0.8811
940	GLT	0.8810
941	DEE	0.8810
942	4KL	0.8809
943	MJ2	0.8809
944	AEF	0.8809
945	DNF	0.8807
946	GLY PRO	0.8806
947	IT2	0.8806
948	BML	0.8805
949	RB5	0.8804
950	LDP	0.8803
951	ZBT	0.8803
952	1LN	0.8802
953	SRT	0.8802
954	LRH	0.8802
955	TT4	0.8802
956	9ZE	0.8801
957	0LH	0.8800
958	ASC	0.8799
959	PBC	0.8799
960	IF7	0.8799
961	TM4	0.8799
962	4JN	0.8799
963	FAN	0.8798
964	FHN	0.8797
965	4XX	0.8797
966	1X7	0.8796
967	J1Z	0.8795
968	JXN	0.8793
969	YTB	0.8793
970	FSW	0.8793
971	LDR	0.8792
972	4CH	0.8792
973	MHK	0.8791
974	FBM	0.8790
975	N8P	0.8787
976	MFU	0.8787
977	PQK	0.8787
978	M58	0.8786
979	ADA	0.8786
980	1IT	0.8784
981	LT8	0.8783
982	GT0	0.8780
983	WOT	0.8780
984	IUP	0.8779
985	QSB	0.8778
986	AFR	0.8777
987	KFH	0.8777
988	NCD	0.8777
989	JZ4	0.8776
990	9AP	0.8774
991	260	0.8774
992	RD4	0.8773
993	AC6	0.8771
994	5WU	0.8770
995	52C	0.8770
996	069	0.8770
997	UFV	0.8770
998	4JL	0.8770
999	FDR	0.8769
1000	MZW	0.8769
1001	DE5	0.8766
1002	SYN	0.8765
1003	226	0.8764
1004	IFP	0.8763
1005	FOA	0.8760
1006	EMZ	0.8757
1007	H5B	0.8756
1008	DA4	0.8756
1009	4NM	0.8753
1010	MT5	0.8753
1011	FLV	0.8753
1012	1AL	0.8753
1013	A65	0.8753
1014	IOL	0.8753
1015	FCR	0.8751
1016	OK7	0.8751
1017	ONR	0.8750
1018	XYL	0.8750
1019	2KA	0.8748
1020	M4E	0.8747
1021	YRL	0.8747
1022	FLC	0.8745
1023	HBX	0.8744
1024	60Q	0.8743
1025	J01	0.8742
1026	259	0.8742
1027	3AL	0.8740
1028	JND	0.8740
1029	2XX	0.8739
1030	PYC	0.8739
1031	2PC	0.8738
1032	ZZZ	0.8735
1033	7D2	0.8735
1034	YAN	0.8734
1035	APS	0.8731
1036	HHR	0.8730
1037	FBA	0.8730
1038	DS0	0.8729
1039	6KT	0.8729
1040	CKA	0.8726
1041	JU2	0.8724
1042	091	0.8724
1043	PEZ	0.8723
1044	PBE	0.8722
1045	H3M	0.8721
1046	9X7	0.8719
1047	7MX	0.8718
1048	SFU	0.8718
1049	45L	0.8712
1050	PY7	0.8711
1051	ABN	0.8711
1052	PRO	0.8711
1053	OW7	0.8710
1054	KP6	0.8710
1055	GLF	0.8708
1056	94B	0.8706
1057	XXP	0.8706
1058	HDH	0.8705
1059	9CA	0.8702
1060	1XX	0.8701
1061	TSU	0.8700
1062	IAC	0.8700
1063	M5N	0.8699
1064	NLA	0.8698
1065	SLS	0.8697
1066	TMT	0.8697
1067	ROI	0.8696
1068	GJP	0.8694
1069	4FH	0.8694
1070	4VS	0.8693
1071	LYL	0.8689
1072	HHT	0.8689
1073	1U1	0.8687
1074	DX3	0.8687
1075	TAR	0.8686
1076	7N0	0.8683
1077	TLA	0.8682
1078	948	0.8681
1079	PYF	0.8678
1080	MAK	0.8677
1081	5NS	0.8677
1082	RBL	0.8677
1083	8W9	0.8672
1084	NGT	0.8672
1085	X0V	0.8671
1086	SN4	0.8670
1087	LFR	0.8669
1088	G12	0.8668
1089	SJ5	0.8668
1090	1HN	0.8664
1091	15E	0.8663
1092	UFO	0.8661
1093	4WL	0.8660
1094	AA	0.8659
1095	MMA	0.8659
1096	RSO	0.8656
1097	BNT	0.8655
1098	PHE	0.8653
1099	C21	0.8645
1100	F9P	0.8643
1101	F1A	0.8642
1102	ZYR	0.8642
1103	NBE	0.8641
1104	ESP	0.8639
1105	BPN	0.8639
1106	GNL	0.8635
1107	NSG	0.8635
1108	L5V	0.8634
1109	HKD	0.8630
1110	0FK	0.8630
1111	TP5	0.8627
1112	OHP	0.8626
1113	K97	0.8625
1114	8NX	0.8625
1115	JAB	0.8624
1116	8HC	0.8623
1117	PJW	0.8623
1118	28N	0.8622
1119	06B	0.8621
1120	FA3	0.8619
1121	39O	0.8618
1122	4RU	0.8617
1123	HIO	0.8614
1124	TPA	0.8612
1125	2PG	0.8603
1126	1MR	0.8601
1127	BPU	0.8600
1128	FUD	0.8595
1129	PHU	0.8590
1130	4ZA	0.8590
1131	TRA	0.8590
1132	293	0.8587
1133	GCV	0.8581
1134	7WG	0.8573
1135	TZE	0.8570
1136	AAS	0.8570
1137	BZJ	0.8568
1138	K37	0.8567
1139	JG8	0.8564
1140	AH8	0.8562
1141	PBR	0.8561
1142	3C2	0.8560
1143	3C1	0.8560
1144	LZ2	0.8559
1145	XRG	0.8558
1146	3V4	0.8558
1147	FUB	0.8554
1148	ANF	0.8552
1149	ESX	0.8545
1150	J6W	0.8542
1151	SMV	0.8530
1152	M6Z	0.8525
1153	L99	0.8520
1154	6JN	0.8519

Ligand no: 2; 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

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

APoc FAQ