Receptor
PDB id Resolution Class Description Source Keywords
2FBZ 2.1 Å EC: 1.14.13.165 HEME-NO COMPLEX IN A BACTERIAL NITRIC OXIDE SYNTHASE BACILLUS SUBTILIS HEME-NO COMPLEX NITRIC OXIDE SYNTHASE OXIDOREDUCTASE
Ref.: NITROSYL-HEME STRUCTURES OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE HAVE IMPLICATIONS FOR UNDERSTANDING SUBSTRATE OXIDATION. BIOCHEMISTRY V. 45 2537 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
H2B X:903;
 Valid;
 none;
 submit data
239.231 C9 H13 N5 O3 C[C@@...
HAR X:909;
 Valid;
 none;
 submit data
190.2 C6 H14 N4 O3 C(C[C...
HEM X:901;
 Part of Protein;
 none;
 submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
NO X:902;
 Invalid;
 none;
 submit data
30.006 N O [N]=O
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4LWA 2.06 Å EC: 1.14.13.165 STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMP ((2S, 3S)-1,3-BIS((6-(2,5-DIMETHYL-1H-PYRROL-1-YL)-4-METHYLY L)METHOXY)-2-AMINOBUTANE BACILLUS SUBTILIS SUBSP. SUBTILIS NITRIC OXIDE SYNTHASE OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITCOMPLEX
Ref.: STRUCTURAL AND BIOLOGICAL STUDIES ON BACTERIAL NITR SYNTHASE INHIBITORS. PROC.NATL.ACAD.SCI.USA V. 110 18127 2013
Members (73)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5G6E - H4B C9 H15 N5 O3 C[C@@H]([C....
2 4UG9 - 1EW C25 H33 N5 Cc1cc(nc(c....
3 4UGH - H4B C9 H15 N5 O3 C[C@@H]([C....
4 2FBZ - HAR C6 H14 N4 O3 C(C[C@@H](....
5 5G6B - M48 C19 H20 F N3 c1cc(cc(c1....
6 4D3V - RFQ C24 H21 N4 O2 S2 [H]/N=C(/c....
7 5G6N - 8VJ C19 H21 N3 O CN(C)Cc1cc....
8 4UG5 - XFK C21 H25 N5 Cc1cc(nc(c....
9 4UGR - 6E5 C29 H31 N5 O2 S2 [H]/N=C(/c....
10 5G6K - M94 C19 H21 N3 O CNCCc1cccc....
11 4UG8 - HW1 C22 H33 N5 O Cc1cc(nc(c....
12 4UGG - S5D C22 H27 N5 Cc1cc(nc(c....
13 4D7I - 0GD C21 H22 F N3 Cc1cc(nc(c....
14 5G6O - 8VJ C19 H21 N3 O CN(C)Cc1cc....
15 4UGQ - 7LN C27 H29 N5 O2 S2 c1cc(cc(c1....
16 4UGW - HW1 C22 H33 N5 O Cc1cc(nc(c....
17 5G6F - 2SN C19 H22 N4 CN(C)Cc1cc....
18 5G6L - XEB C18 H18 Cl N3 O CNCc1cc(cc....
19 5G69 - H4B C9 H15 N5 O3 C[C@@H]([C....
20 4UGS - H36 C24 H22 N4 O2 S2 [H]/N=C(Nc....
21 5G6C - H4B C9 H15 N5 O3 C[C@@H]([C....
22 4UGC - 1Q6 C17 H25 N5 O2 Cc1cc(nc(c....
23 4UGE - H4B C9 H15 N5 O3 C[C@@H]([C....
24 4D3K - 12S C25 H33 N5 Cc1cc(nc(c....
25 4UG7 - 1EV C23 H25 N5 Cc1cc(nc(c....
26 4UGT - UGT C16 H19 N3 O S c1cc(cc(c1....
27 4UGF - Q16 C19 H27 N5 O2 Cc1cc(nc(c....
28 4LWB Kd = 4.4 uM QJ8 C19 H27 N5 O2 Cc1cc(nc(c....
29 4UG6 - H4B C9 H15 N5 O3 C[C@@H]([C....
30 5G6D - JHT C19 H22 N4 CN(C)c1ccc....
31 4D7J - 0GD C21 H22 F N3 Cc1cc(nc(c....
32 4UGY - H4B C9 H15 N5 O3 C[C@@H]([C....
33 5G6A - H4B C9 H15 N5 O3 C[C@@H]([C....
34 1M7V - THG C19 H23 N7 O6 c1cc(ccc1C....
35 2FC2 - HBI C9 H13 N5 O3 C[C@@H]([C....
36 4D3J - XFN C22 H27 N5 Cc1cc(nc(c....
37 5G6M - 9M9 C17 H17 N3 O c1cc(cc(c1....
38 4UQR - H4B C9 H15 N5 O3 C[C@@H]([C....
39 4UGL - S90 C20 H27 F N4 Cc1cc(nc(c....
40 4UGM - H4B C9 H15 N5 O3 C[C@@H]([C....
41 4D3O - S97 C24 H27 N5 Cc1cc(nc(c....
42 4UGA - Q05 C22 H24 F N3 O Cc1cc(nc(c....
43 5G6J - M94 C19 H21 N3 O CNCCc1cccc....
44 4UGP - H4B C9 H15 N5 O3 C[C@@H]([C....
45 4UGV - H4B C9 H15 N5 O3 C[C@@H]([C....
46 5G66 - M5K C10 H10 N2 Cc1cc(nc2c....
47 4D3I - 1ET C23 H29 N5 Cc1cc(nc(c....
48 4UGK - 7S9 C17 H24 N4 Cc1cc(nc(c....
49 4D3N - SK6 C22 H23 N5 Cc1cc(nc(c....
50 4D3U - RFQ C24 H21 N4 O2 S2 [H]/N=C(/c....
51 4UGN - H49 C17 H22 N4 S c1cc(cc(c1....
52 5G67 - M87 C18 H18 F N3 c1cc(cc(c1....
53 5G6Q - TUE C17 H16 N4 O C=NCc1cc(c....
54 4UGX - 5H4 C22 H24 F N3 S [H]/N=C(c1....
55 4D3M - IVU C24 H27 N5 Cc1cc(nc(c....
56 4UGJ - H4B C9 H15 N5 O3 C[C@@H]([C....
57 2FC1 - HBI C9 H13 N5 O3 C[C@@H]([C....
58 5G6P - 8VJ C19 H21 N3 O CN(C)Cc1cc....
59 4UGO - 1QF C27 H29 N5 S2 [H]/N=C(c1....
60 5G6G - H8B C18 H19 N3 O CNCc1ccccc....
61 4D7H - M46 C20 H22 F N3 c1cc(cc(c1....
62 4UQS - INE C7 H4 Br N3 O2 c1cc2c(c(c....
63 5G68 - ML6 C19 H20 F N3 c1cc(cc(c1....
64 1M7Z - THG C19 H23 N7 O6 c1cc(ccc1C....
65 4UGB - QJ7 C21 H23 F N4 O Cc1cc(nc(c....
66 4UGD - Q14 C18 H27 N5 O2 Cc1cc(nc(c....
67 5G6I - H4B C9 H15 N5 O3 C[C@@H]([C....
68 4D3T - RFQ C24 H21 N4 O2 S2 [H]/N=C(/c....
69 5G65 - 2AQ C9 H8 N2 c1ccc2c(c1....
70 5G6H - H4B C9 H15 N5 O3 C[C@@H]([C....
71 4UGI - SKO C17 H25 N5 Cc1cc(nc(c....
72 4LWA Kd = 1.1 uM Q13 C18 H27 N5 O2 Cc1cc(nc(c....
73 4UGU - PQW C27 H27 N5 O2 S2 [H]/N=C(/c....
70% Homology Family (73)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5G6E - H4B C9 H15 N5 O3 C[C@@H]([C....
2 4UG9 - 1EW C25 H33 N5 Cc1cc(nc(c....
3 4UGH - H4B C9 H15 N5 O3 C[C@@H]([C....
4 2FBZ - HAR C6 H14 N4 O3 C(C[C@@H](....
5 5G6B - M48 C19 H20 F N3 c1cc(cc(c1....
6 4D3V - RFQ C24 H21 N4 O2 S2 [H]/N=C(/c....
7 5G6N - 8VJ C19 H21 N3 O CN(C)Cc1cc....
8 4UG5 - XFK C21 H25 N5 Cc1cc(nc(c....
9 4UGR - 6E5 C29 H31 N5 O2 S2 [H]/N=C(/c....
10 5G6K - M94 C19 H21 N3 O CNCCc1cccc....
11 4UG8 - HW1 C22 H33 N5 O Cc1cc(nc(c....
12 4UGG - S5D C22 H27 N5 Cc1cc(nc(c....
13 4D7I - 0GD C21 H22 F N3 Cc1cc(nc(c....
14 5G6O - 8VJ C19 H21 N3 O CN(C)Cc1cc....
15 4UGQ - 7LN C27 H29 N5 O2 S2 c1cc(cc(c1....
16 4UGW - HW1 C22 H33 N5 O Cc1cc(nc(c....
17 5G6F - 2SN C19 H22 N4 CN(C)Cc1cc....
18 5G6L - XEB C18 H18 Cl N3 O CNCc1cc(cc....
19 5G69 - H4B C9 H15 N5 O3 C[C@@H]([C....
20 4UGS - H36 C24 H22 N4 O2 S2 [H]/N=C(Nc....
21 5G6C - H4B C9 H15 N5 O3 C[C@@H]([C....
22 4UGC - 1Q6 C17 H25 N5 O2 Cc1cc(nc(c....
23 4UGE - H4B C9 H15 N5 O3 C[C@@H]([C....
24 4D3K - 12S C25 H33 N5 Cc1cc(nc(c....
25 4UG7 - 1EV C23 H25 N5 Cc1cc(nc(c....
26 4UGT - UGT C16 H19 N3 O S c1cc(cc(c1....
27 4UGF - Q16 C19 H27 N5 O2 Cc1cc(nc(c....
28 4LWB Kd = 4.4 uM QJ8 C19 H27 N5 O2 Cc1cc(nc(c....
29 4UG6 - H4B C9 H15 N5 O3 C[C@@H]([C....
30 5G6D - JHT C19 H22 N4 CN(C)c1ccc....
31 4D7J - 0GD C21 H22 F N3 Cc1cc(nc(c....
32 4UGY - H4B C9 H15 N5 O3 C[C@@H]([C....
33 5G6A - H4B C9 H15 N5 O3 C[C@@H]([C....
34 1M7V - THG C19 H23 N7 O6 c1cc(ccc1C....
35 2FC2 - HBI C9 H13 N5 O3 C[C@@H]([C....
36 4D3J - XFN C22 H27 N5 Cc1cc(nc(c....
37 5G6M - 9M9 C17 H17 N3 O c1cc(cc(c1....
38 4UQR - H4B C9 H15 N5 O3 C[C@@H]([C....
39 4UGL - S90 C20 H27 F N4 Cc1cc(nc(c....
40 4UGM - H4B C9 H15 N5 O3 C[C@@H]([C....
41 4D3O - S97 C24 H27 N5 Cc1cc(nc(c....
42 4UGA - Q05 C22 H24 F N3 O Cc1cc(nc(c....
43 5G6J - M94 C19 H21 N3 O CNCCc1cccc....
44 4UGP - H4B C9 H15 N5 O3 C[C@@H]([C....
45 4UGV - H4B C9 H15 N5 O3 C[C@@H]([C....
46 5G66 - M5K C10 H10 N2 Cc1cc(nc2c....
47 4D3I - 1ET C23 H29 N5 Cc1cc(nc(c....
48 4UGK - 7S9 C17 H24 N4 Cc1cc(nc(c....
49 4D3N - SK6 C22 H23 N5 Cc1cc(nc(c....
50 4D3U - RFQ C24 H21 N4 O2 S2 [H]/N=C(/c....
51 4UGN - H49 C17 H22 N4 S c1cc(cc(c1....
52 5G67 - M87 C18 H18 F N3 c1cc(cc(c1....
53 5G6Q - TUE C17 H16 N4 O C=NCc1cc(c....
54 4UGX - 5H4 C22 H24 F N3 S [H]/N=C(c1....
55 4D3M - IVU C24 H27 N5 Cc1cc(nc(c....
56 4UGJ - H4B C9 H15 N5 O3 C[C@@H]([C....
57 2FC1 - HBI C9 H13 N5 O3 C[C@@H]([C....
58 5G6P - 8VJ C19 H21 N3 O CN(C)Cc1cc....
59 4UGO - 1QF C27 H29 N5 S2 [H]/N=C(c1....
60 5G6G - H8B C18 H19 N3 O CNCc1ccccc....
61 4D7H - M46 C20 H22 F N3 c1cc(cc(c1....
62 4UQS - INE C7 H4 Br N3 O2 c1cc2c(c(c....
63 5G68 - ML6 C19 H20 F N3 c1cc(cc(c1....
64 1M7Z - THG C19 H23 N7 O6 c1cc(ccc1C....
65 4UGB - QJ7 C21 H23 F N4 O Cc1cc(nc(c....
66 4UGD - Q14 C18 H27 N5 O2 Cc1cc(nc(c....
67 5G6I - H4B C9 H15 N5 O3 C[C@@H]([C....
68 4D3T - RFQ C24 H21 N4 O2 S2 [H]/N=C(/c....
69 5G65 - 2AQ C9 H8 N2 c1ccc2c(c1....
70 5G6H - H4B C9 H15 N5 O3 C[C@@H]([C....
71 4UGI - SKO C17 H25 N5 Cc1cc(nc(c....
72 4LWA Kd = 1.1 uM Q13 C18 H27 N5 O2 Cc1cc(nc(c....
73 4UGU - PQW C27 H27 N5 O2 S2 [H]/N=C(/c....
50% Homology Family (74)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5G6E - H4B C9 H15 N5 O3 C[C@@H]([C....
2 4UG9 - 1EW C25 H33 N5 Cc1cc(nc(c....
3 4UGH - H4B C9 H15 N5 O3 C[C@@H]([C....
4 2FBZ - HAR C6 H14 N4 O3 C(C[C@@H](....
5 5G6B - M48 C19 H20 F N3 c1cc(cc(c1....
6 4D3V - RFQ C24 H21 N4 O2 S2 [H]/N=C(/c....
7 5G6N - 8VJ C19 H21 N3 O CN(C)Cc1cc....
8 4UG5 - XFK C21 H25 N5 Cc1cc(nc(c....
9 4UGR - 6E5 C29 H31 N5 O2 S2 [H]/N=C(/c....
10 5G6K - M94 C19 H21 N3 O CNCCc1cccc....
11 4UG8 - HW1 C22 H33 N5 O Cc1cc(nc(c....
12 4UGG - S5D C22 H27 N5 Cc1cc(nc(c....
13 4D7I - 0GD C21 H22 F N3 Cc1cc(nc(c....
14 5G6O - 8VJ C19 H21 N3 O CN(C)Cc1cc....
15 4UGQ - 7LN C27 H29 N5 O2 S2 c1cc(cc(c1....
16 4UGW - HW1 C22 H33 N5 O Cc1cc(nc(c....
17 5G6F - 2SN C19 H22 N4 CN(C)Cc1cc....
18 5G6L - XEB C18 H18 Cl N3 O CNCc1cc(cc....
19 5G69 - H4B C9 H15 N5 O3 C[C@@H]([C....
20 4UGS - H36 C24 H22 N4 O2 S2 [H]/N=C(Nc....
21 5G6C - H4B C9 H15 N5 O3 C[C@@H]([C....
22 4UGC - 1Q6 C17 H25 N5 O2 Cc1cc(nc(c....
23 4UGE - H4B C9 H15 N5 O3 C[C@@H]([C....
24 4D3K - 12S C25 H33 N5 Cc1cc(nc(c....
25 4UG7 - 1EV C23 H25 N5 Cc1cc(nc(c....
26 4UGT - UGT C16 H19 N3 O S c1cc(cc(c1....
27 4UGF - Q16 C19 H27 N5 O2 Cc1cc(nc(c....
28 4LWB Kd = 4.4 uM QJ8 C19 H27 N5 O2 Cc1cc(nc(c....
29 4UG6 - H4B C9 H15 N5 O3 C[C@@H]([C....
30 5G6D - JHT C19 H22 N4 CN(C)c1ccc....
31 4D7J - 0GD C21 H22 F N3 Cc1cc(nc(c....
32 4UGY - H4B C9 H15 N5 O3 C[C@@H]([C....
33 5G6A - H4B C9 H15 N5 O3 C[C@@H]([C....
34 1M7V - THG C19 H23 N7 O6 c1cc(ccc1C....
35 2FC2 - HBI C9 H13 N5 O3 C[C@@H]([C....
36 4D3J - XFN C22 H27 N5 Cc1cc(nc(c....
37 5G6M - 9M9 C17 H17 N3 O c1cc(cc(c1....
38 4UQR - H4B C9 H15 N5 O3 C[C@@H]([C....
39 4UGL - S90 C20 H27 F N4 Cc1cc(nc(c....
40 4UGM - H4B C9 H15 N5 O3 C[C@@H]([C....
41 4D3O - S97 C24 H27 N5 Cc1cc(nc(c....
42 4UGA - Q05 C22 H24 F N3 O Cc1cc(nc(c....
43 5G6J - M94 C19 H21 N3 O CNCCc1cccc....
44 4UGP - H4B C9 H15 N5 O3 C[C@@H]([C....
45 4UGV - H4B C9 H15 N5 O3 C[C@@H]([C....
46 5G66 - M5K C10 H10 N2 Cc1cc(nc2c....
47 4D3I - 1ET C23 H29 N5 Cc1cc(nc(c....
48 4UGK - 7S9 C17 H24 N4 Cc1cc(nc(c....
49 4D3N - SK6 C22 H23 N5 Cc1cc(nc(c....
50 4D3U - RFQ C24 H21 N4 O2 S2 [H]/N=C(/c....
51 4UGN - H49 C17 H22 N4 S c1cc(cc(c1....
52 5G67 - M87 C18 H18 F N3 c1cc(cc(c1....
53 5G6Q - TUE C17 H16 N4 O C=NCc1cc(c....
54 4UGX - 5H4 C22 H24 F N3 S [H]/N=C(c1....
55 4D3M - IVU C24 H27 N5 Cc1cc(nc(c....
56 4UGJ - H4B C9 H15 N5 O3 C[C@@H]([C....
57 2FC1 - HBI C9 H13 N5 O3 C[C@@H]([C....
58 5G6P - 8VJ C19 H21 N3 O CN(C)Cc1cc....
59 4UGO - 1QF C27 H29 N5 S2 [H]/N=C(c1....
60 5G6G - H8B C18 H19 N3 O CNCc1ccccc....
61 4D7H - M46 C20 H22 F N3 c1cc(cc(c1....
62 4UQS - INE C7 H4 Br N3 O2 c1cc2c(c(c....
63 5G68 - ML6 C19 H20 F N3 c1cc(cc(c1....
64 1M7Z - THG C19 H23 N7 O6 c1cc(ccc1C....
65 4UGB - QJ7 C21 H23 F N4 O Cc1cc(nc(c....
66 4UGD - Q14 C18 H27 N5 O2 Cc1cc(nc(c....
67 5G6I - H4B C9 H15 N5 O3 C[C@@H]([C....
68 4D3T - RFQ C24 H21 N4 O2 S2 [H]/N=C(/c....
69 5G65 - 2AQ C9 H8 N2 c1ccc2c(c1....
70 5G6H - H4B C9 H15 N5 O3 C[C@@H]([C....
71 4UGI - SKO C17 H25 N5 Cc1cc(nc(c....
72 4LWA Kd = 1.1 uM Q13 C18 H27 N5 O2 Cc1cc(nc(c....
73 4UGU - PQW C27 H27 N5 O2 S2 [H]/N=C(/c....
74 1MJT - ITU C3 H8 N2 S CCSC(=N)N
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: H2B; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 H2B 1 1
Ligand no: 2; Ligand: HAR; Similar ligands found: 36
No: Ligand ECFP6 Tc MDL keys Tc
1 HAR 1 1
2 NMM 0.707317 0.744186
3 NRG 0.666667 0.722222
4 NNH 0.65 0.928571
5 1KJ 0.644444 0.906977
6 RPI 0.630435 0.711538
7 ILO 0.619048 0.659091
8 CIR 0.6 0.681818
9 2KJ 0.591837 0.886364
10 D20 0.591837 0.673469
11 AS1 0.591837 0.717391
12 4JK 0.590909 0.704545
13 VUR 0.590909 0.681818
14 DAR 0.585366 0.780488
15 ARG 0.585366 0.780488
16 WT2 0.577778 0.714286
17 DA2 0.565217 0.64
18 3KJ 0.553191 0.829787
19 ONH 0.55 0.804878
20 JM2 0.541667 0.625
21 LN6 0.52 0.617021
22 HRG 0.511111 0.780488
23 JM7 0.509804 0.625
24 JM4 0.509434 0.6
25 3AR 0.5 0.711111
26 VIO 0.489796 0.617021
27 2MR 0.489796 0.727273
28 JM8 0.481481 0.612245
29 JM6 0.481481 0.6
30 JM5 0.472727 0.612245
31 AHL 0.468085 0.787234
32 5KJ 0.431373 0.78
33 BHH 0.428571 0.772727
34 ORN 0.414634 0.625
35 6HN 0.413043 0.607843
36 AAR 0.4 0.622222
Similar Ligands (3D)
Ligand no: 1; Ligand: H2B; Similar ligands found: 871
No: Ligand Similarity coefficient
1 H4B 1.0000
2 4AB 1.0000
3 HBI 1.0000
4 N2M 1.0000
5 BHS 0.9962
6 ZSP 0.9859
7 BIO 0.9761
8 NEO 0.9730
9 7AP 0.9717
10 NEU 0.9678
11 0J4 0.9634
12 MPU 0.9559
13 2K8 0.9508
14 KP2 0.9442
15 HHS 0.9442
16 B52 0.9419
17 0J5 0.9417
18 GXG 0.9412
19 Q0K 0.9400
20 RSV 0.9383
21 H4B NO 0.9362
22 7PJ 0.9356
23 NPX 0.9351
24 M78 0.9341
25 92O 0.9340
26 8Y7 0.9331
27 NPS 0.9309
28 PH2 0.9298
29 4Z1 0.9292
30 BGU 0.9289
31 S60 0.9288
32 N1E 0.9275
33 AP6 0.9272
34 KF5 0.9266
35 TRP 0.9250
36 FT6 0.9249
37 ZEC 0.9248
38 0FK 0.9248
39 DBS 0.9244
40 B5A 0.9242
41 5V7 0.9241
42 22L 0.9230
43 3VX 0.9230
44 4NR 0.9229
45 CC5 0.9223
46 HHR 0.9220
47 B61 0.9218
48 RVE 0.9217
49 WS7 0.9215
50 3N1 0.9213
51 SJK 0.9210
52 CX6 0.9208
53 EQA 0.9203
54 2WU 0.9199
55 FF2 0.9198
56 W23 0.9197
57 CTE 0.9197
58 5SJ 0.9195
59 WV7 0.9192
60 0SY 0.9191
61 K7H 0.9188
62 MS0 0.9187
63 AJ1 0.9187
64 GEN 0.9187
65 1Q4 0.9181
66 0OK 0.9175
67 AC2 0.9174
68 FYR 0.9172
69 B56 0.9167
70 5E5 0.9165
71 5AD 0.9157
72 QIV 0.9154
73 Z25 0.9151
74 S98 0.9149
75 X04 0.9149
76 OLU 0.9147
77 SG2 0.9147
78 6FB 0.9144
79 1QV 0.9142
80 CHQ 0.9141
81 YZ9 0.9140
82 P1J 0.9139
83 AJG 0.9127
84 3SU 0.9125
85 T1N 0.9125
86 2QU 0.9124
87 IQW 0.9124
88 OA4 0.9123
89 0FR 0.9119
90 DX2 0.9117
91 PIQ 0.9117
92 LZ2 0.9115
93 5ER 0.9114
94 ZYR 0.9111
95 VUP 0.9110
96 EV2 0.9110
97 ZYQ 0.9108
98 5NN 0.9106
99 D64 0.9106
100 FDR 0.9102
101 V1T 0.9101
102 PMM 0.9100
103 2QV 0.9097
104 SYE 0.9095
105 ZEZ 0.9093
106 EUH 0.9089
107 S0G 0.9089
108 5S9 0.9088
109 WS6 0.9088
110 UAY 0.9087
111 9UL 0.9087
112 AMR 0.9086
113 IL5 0.9085
114 8HC 0.9084
115 5XL 0.9083
116 MD6 0.9082
117 BVS 0.9082
118 N0Z 0.9081
119 EES 0.9080
120 9KZ 0.9078
121 PMP 0.9078
122 PRL 0.9076
123 N91 0.9073
124 MP5 0.9072
125 KMY 0.9071
126 GZV 0.9070
127 4KL 0.9070
128 39Z 0.9069
129 CG 0.9066
130 7L4 0.9066
131 EUE 0.9065
132 0JD 0.9064
133 QME 0.9063
134 2J2 0.9062
135 Y3L 0.9059
136 5NS 0.9056
137 S0E 0.9055
138 22T 0.9054
139 3GX 0.9053
140 Z21 0.9052
141 7PS 0.9049
142 BQ2 0.9049
143 E1K 0.9049
144 SKF 0.9047
145 BBY 0.9044
146 DTR 0.9043
147 XCG 0.9043
148 2GQ 0.9043
149 FNT 0.9042
150 68A 0.9042
151 ZHA 0.9041
152 MUK 0.9041
153 ARP 0.9036
154 JF2 0.9036
155 6DQ 0.9034
156 3Y7 0.9031
157 697 0.9030
158 HRD 0.9028
159 4I8 0.9024
160 657 0.9020
161 2PV 0.9019
162 TMG 0.9017
163 1ZC 0.9016
164 GA2 0.9016
165 0DF 0.9012
166 ZRK 0.9011
167 8D6 0.9011
168 54X 0.9006
169 ITE 0.9005
170 E9S 0.9004
171 ONZ 0.9004
172 AVX 0.9003
173 GW3 0.9003
174 LI7 0.9003
175 0J2 0.9002
176 5WT 0.9002
177 AUG 0.9000
178 5VU 0.9000
179 WSD 0.8999
180 EI1 0.8999
181 Z17 0.8996
182 7D7 0.8993
183 47X 0.8993
184 AUE 0.8992
185 5B2 0.8991
186 XYP XIF 0.8991
187 XIF XYP 0.8991
188 9JT 0.8990
189 ADN 0.8988
190 GO8 0.8987
191 1FL 0.8986
192 ZEA 0.8985
193 7FU 0.8985
194 JA5 0.8984
195 WLH 0.8983
196 LVY 0.8983
197 2PK 0.8982
198 X0T 0.8981
199 F5C 0.8978
200 MDR 0.8978
201 6L6 0.8975
202 MFR 0.8975
203 C53 0.8975
204 PYU 0.8974
205 Y0V 0.8972
206 3D1 0.8972
207 344 0.8970
208 0NJ 0.8969
209 DRG 0.8968
210 4AU 0.8967
211 H75 0.8966
212 3F4 0.8966
213 X48 0.8965
214 E6Q 0.8962
215 P9E 0.8962
216 15N 0.8961
217 5TY 0.8960
218 9R5 0.8960
219 X0U 0.8960
220 M9K 0.8960
221 PRH 0.8960
222 3AD 0.8959
223 F40 0.8958
224 NPA 0.8958
225 D9Z 0.8957
226 BGN 0.8957
227 GB4 0.8955
228 RGK 0.8955
229 EXD 0.8955
230 TCR 0.8955
231 GJP 0.8953
232 JOB 0.8951
233 5OR 0.8951
234 9CE 0.8950
235 6KT 0.8950
236 SZ5 0.8949
237 3WJ 0.8948
238 3D8 0.8946
239 7EH 0.8946
240 5M2 0.8946
241 8OX 0.8945
242 0GA 0.8945
243 KYN 0.8944
244 UQ1 0.8943
245 ZAR 0.8942
246 QMS 0.8941
247 LUM 0.8941
248 XYA 0.8940
249 EYY 0.8940
250 A5Q 0.8939
251 4BY 0.8938
252 6QT 0.8937
253 CDY 0.8937
254 5I5 0.8935
255 HNT 0.8935
256 NAL 0.8934
257 54E 0.8934
258 EAE 0.8933
259 9ZE 0.8932
260 C2M 0.8932
261 NAG 0.8932
262 2JX 0.8931
263 EYV 0.8931
264 FM1 0.8929
265 HRM 0.8928
266 NIF 0.8926
267 ZRL 0.8926
268 CEG 0.8925
269 TGW 0.8925
270 46M 0.8925
271 DE7 0.8925
272 Q8G 0.8924
273 25F 0.8923
274 DT7 0.8921
275 1AJ 0.8921
276 GO2 0.8920
277 96Z 0.8919
278 5F1 0.8919
279 M5H 0.8919
280 1CY 0.8919
281 JF1 0.8918
282 2P3 0.8916
283 M6P 0.8916
284 5C1 0.8915
285 P2L 0.8915
286 CP6 0.8915
287 3R4 0.8914
288 78U 0.8914
289 1DR 0.8912
290 78P 0.8910
291 6QF 0.8909
292 2O6 0.8909
293 20D 0.8909
294 B41 0.8909
295 3L1 0.8908
296 KW7 0.8906
297 Y70 0.8906
298 6MD 0.8906
299 HH6 0.8905
300 MPP 0.8903
301 A6W 0.8903
302 ZIP 0.8902
303 PLP 0.8902
304 5N5 0.8902
305 789 0.8901
306 MNS 0.8901
307 5WS 0.8900
308 4GU 0.8900
309 MIL 0.8899
310 APS 0.8898
311 R4E 0.8898
312 5WK 0.8897
313 21D 0.8896
314 CUH 0.8894
315 BP7 0.8893
316 A05 0.8892
317 EVF 0.8892
318 535 0.8892
319 BA5 0.8891
320 EF2 0.8891
321 9BF 0.8891
322 1HP 0.8890
323 120 0.8890
324 ETV 0.8889
325 2UD 0.8889
326 8M5 0.8887
327 57D 0.8886
328 89J 0.8886
329 HBO 0.8886
330 L2K 0.8885
331 1V1 0.8885
332 6ZW 0.8885
333 2FX 0.8885
334 XFE 0.8884
335 1XS 0.8884
336 MXD 0.8884
337 801 0.8882
338 26C 0.8881
339 THM 0.8881
340 CX5 0.8880
341 AWE 0.8879
342 LTN 0.8879
343 15Q 0.8878
344 8DA 0.8878
345 FWD 0.8878
346 3ZB 0.8878
347 UNJ 0.8877
348 BHQ 0.8877
349 9FH 0.8877
350 X2M 0.8877
351 P4L 0.8877
352 GNG 0.8877
353 DTE 0.8876
354 549 0.8876
355 AQN 0.8875
356 42R 0.8875
357 1V4 0.8873
358 2FD 0.8873
359 A5H 0.8873
360 SLS 0.8873
361 KLV 0.8872
362 A73 0.8872
363 HA6 0.8871
364 0UL 0.8870
365 PQS 0.8870
366 M77 0.8868
367 KTW 0.8867
368 PXP 0.8866
369 1FE 0.8866
370 7MX 0.8866
371 3IP 0.8865
372 TBN 0.8865
373 ANC 0.8865
374 52F 0.8864
375 14Z 0.8864
376 4RU 0.8864
377 FMB 0.8863
378 D1Y 0.8863
379 PQM 0.8862
380 M02 0.8861
381 0OO 0.8861
382 363 0.8861
383 G6P 0.8860
384 A4D 0.8860
385 CL9 0.8860
386 M3F 0.8859
387 IAC 0.8859
388 6HP 0.8858
389 FER 0.8858
390 YE7 0.8858
391 9H2 0.8857
392 3UG 0.8857
393 6EL 0.8857
394 IXG 0.8857
395 0HY 0.8857
396 IOP 0.8856
397 NDG 0.8856
398 H5B 0.8854
399 BGP 0.8854
400 NOS 0.8854
401 A7H 0.8854
402 B2E 0.8854
403 MUX 0.8853
404 PLR 0.8852
405 IDD 0.8852
406 LWS 0.8852
407 3WK 0.8851
408 1HN 0.8851
409 MAJ 0.8848
410 BZJ 0.8848
411 RDT 0.8848
412 4CN 0.8848
413 61M 0.8847
414 XYP XYP 0.8847
415 H35 0.8846
416 I2E 0.8846
417 P0P 0.8845
418 1HR 0.8845
419 CR4 0.8844
420 JAH 0.8843
421 JXK 0.8842
422 MCY 0.8841
423 1DA 0.8840
424 FCD 0.8840
425 C2Y 0.8839
426 092 0.8838
427 LL1 0.8838
428 5GV 0.8837
429 C4E 0.8837
430 5CD 0.8837
431 5NB 0.8836
432 A 0.8835
433 7EL 0.8835
434 B21 0.8834
435 7G0 0.8834
436 BMZ 0.8833
437 JCZ 0.8833
438 BDI 0.8832
439 1SF 0.8832
440 OQC 0.8832
441 4NS 0.8832
442 1V3 0.8831
443 DFL 0.8830
444 AOY 0.8830
445 5FD 0.8829
446 51Y 0.8828
447 8NX 0.8828
448 LOT 0.8828
449 CX4 0.8827
450 7MW 0.8825
451 VC3 0.8825
452 PIC 0.8825
453 MTP 0.8824
454 D8Q 0.8823
455 GNR 0.8822
456 3VW 0.8822
457 397 0.8821
458 NYJ 0.8821
459 NOC 0.8821
460 ARJ 0.8821
461 28A 0.8821
462 5O6 0.8821
463 4FE 0.8821
464 AD3 0.8820
465 8HG 0.8820
466 WCU 0.8819
467 124 0.8819
468 PTB 0.8818
469 EZL 0.8818
470 B86 0.8818
471 JYE 0.8817
472 H7S 0.8816
473 D1G 0.8815
474 AU8 0.8815
475 ZTW 0.8814
476 OX2 0.8814
477 YE6 0.8814
478 272 0.8813
479 NLA 0.8813
480 8W9 0.8813
481 FMQ 0.8813
482 ESI 0.8812
483 1VK 0.8812
484 HA5 0.8811
485 LR2 0.8811
486 FCW 0.8811
487 109 0.8811
488 3AK 0.8809
489 GDL 0.8809
490 8XL 0.8809
491 N8Y 0.8808
492 BNX 0.8807
493 5P3 0.8807
494 3VS 0.8807
495 1QP 0.8804
496 GXD 0.8803
497 LP8 0.8802
498 DXK 0.8802
499 M01 0.8802
500 DNA 0.8800
501 EQU 0.8800
502 G30 0.8799
503 2D2 0.8798
504 N4E 0.8797
505 3WN 0.8797
506 3WO 0.8797
507 BB4 0.8796
508 555 0.8796
509 N7I 0.8796
510 GI1 0.8795
511 L15 0.8795
512 LFN 0.8795
513 MUR 0.8795
514 6P3 0.8795
515 IOS 0.8794
516 3BH 0.8794
517 3JC 0.8792
518 TB8 0.8791
519 848 0.8790
520 428 0.8790
521 MQG 0.8789
522 QMR 0.8789
523 S0D 0.8787
524 L3L 0.8787
525 833 0.8787
526 B2L 0.8786
527 LR8 0.8786
528 VXX 0.8785
529 3J8 0.8784
530 NPL 0.8784
531 EE8 0.8784
532 12R 0.8784
533 T98 0.8783
534 AJ4 0.8782
535 9FG 0.8781
536 D2G 0.8781
537 6J5 0.8780
538 SWX 0.8780
539 HPR 0.8779
540 C93 0.8778
541 GI4 0.8777
542 27M 0.8777
543 S7V 0.8776
544 3QV 0.8775
545 EST 0.8775
546 FMC 0.8775
547 CDJ 0.8774
548 GC2 0.8774
549 JP2 0.8773
550 EYJ 0.8773
551 DHC 0.8773
552 4FF 0.8773
553 GJB 0.8773
554 OA1 0.8772
555 KMP 0.8772
556 64F 0.8771
557 JXT 0.8771
558 0DN 0.8771
559 BWD 0.8768
560 FZM 0.8768
561 WDW 0.8768
562 IMH 0.8767
563 TSR 0.8765
564 CP7 0.8765
565 0LA 0.8764
566 CU8 0.8763
567 CPW 0.8763
568 FY8 0.8763
569 2L1 0.8762
570 AX5 0.8762
571 14N 0.8761
572 27K 0.8761
573 PLP PMP 0.8760
574 PZP 0.8760
575 NIY 0.8760
576 AX4 0.8759
577 92P 0.8759
578 ZIQ 0.8758
579 NRA 0.8758
580 B0K 0.8758
581 YIH 0.8757
582 4CF 0.8757
583 ERZ 0.8756
584 5GT 0.8756
585 SQM 0.8755
586 JO5 0.8755
587 TJM 0.8754
588 26A 0.8753
589 TMC 0.8753
590 CWD 0.8752
591 UFO 0.8752
592 IKY 0.8752
593 S7D 0.8752
594 NQ7 0.8752
595 EAT 0.8751
596 EQW 0.8750
597 CMU 0.8749
598 OUB 0.8749
599 PVK 0.8749
600 GJK 0.8747
601 MFZ 0.8747
602 BG6 0.8746
603 AH6 0.8746
604 PVQ 0.8746
605 H2W 0.8746
606 KWB 0.8746
607 CNI 0.8745
608 CGW 0.8744
609 B4O 0.8741
610 LJ3 0.8740
611 6SD 0.8740
612 6E8 0.8739
613 92G 0.8739
614 UA2 0.8739
615 P4T 0.8737
616 36M 0.8737
617 K68 0.8736
618 A4N 0.8736
619 3XH 0.8736
620 AJD 0.8736
621 NKI 0.8736
622 DUR 0.8735
623 JGB 0.8735
624 GVY 0.8735
625 5WN 0.8735
626 L21 0.8735
627 GOE 0.8735
628 XIL 0.8734
629 XDL XYP 0.8734
630 I4D 0.8734
631 4EU 0.8733
632 2FA 0.8732
633 UN9 0.8732
634 ZZZ 0.8731
635 2J1 0.8730
636 5XM 0.8730
637 W8L 0.8729
638 EV3 0.8729
639 ENO 0.8728
640 5OO 0.8728
641 ZME 0.8728
642 RKN 0.8727
643 PE2 0.8726
644 Q8D 0.8725
645 GMP 0.8725
646 JF8 0.8724
647 JA3 0.8723
648 4NP 0.8722
649 9GP 0.8721
650 CR1 0.8721
651 M4E 0.8721
652 TIA 0.8720
653 KLK 0.8720
654 JY2 0.8720
655 1A5 0.8718
656 GLP 0.8718
657 HFT 0.8718
658 FM2 0.8716
659 GNM 0.8715
660 E3X 0.8715
661 J38 0.8715
662 3QI 0.8715
663 ALE 0.8714
664 4R1 0.8714
665 DAH 0.8713
666 KY3 0.8713
667 FTV 0.8712
668 RAB 0.8712
669 XYP XDN 0.8711
670 TR4 0.8711
671 NXB 0.8711
672 78Y 0.8708
673 NWD 0.8708
674 6WL 0.8705
675 GB5 0.8704
676 AH9 0.8703
677 TYP 0.8702
678 KU1 0.8702
679 1F1 0.8702
680 CBE 0.8701
681 4UM 0.8701
682 UL1 0.8699
683 9OF 0.8699
684 NQH 0.8697
685 6JO 0.8697
686 VT3 0.8696
687 NDD 0.8695
688 6ME 0.8695
689 5XK 0.8695
690 6Q3 0.8695
691 IPD 0.8693
692 2LY 0.8693
693 GFE 0.8693
694 IWD 0.8692
695 GJW 0.8691
696 4L2 0.8691
697 CXH 0.8691
698 041 0.8690
699 CC6 0.8690
700 7I2 0.8690
701 CIY 0.8690
702 ICB 0.8689
703 YO5 0.8689
704 3WL 0.8689
705 C0H 0.8689
706 M3W 0.8688
707 27B 0.8687
708 EYM 0.8686
709 KLS 0.8686
710 6CR 0.8685
711 WVV 0.8684
712 ZYV 0.8683
713 IS2 0.8683
714 4F8 0.8682
715 J1K 0.8681
716 S7S 0.8681
717 6J9 0.8680
718 5ID 0.8680
719 RPP 0.8680
720 DQU 0.8680
721 NK5 0.8679
722 BVA 0.8678
723 A4T 0.8677
724 68B 0.8677
725 XYP XYS 0.8675
726 N18 0.8675
727 BC3 0.8675
728 NE2 0.8674
729 LZB 0.8674
730 8UY 0.8673
731 0K7 0.8673
732 4ZF 0.8671
733 AGI 0.8671
734 A9B 0.8671
735 531 0.8671
736 EGR 0.8670
737 B23 0.8670
738 PPN 0.8669
739 4BL 0.8669
740 M6D 0.8668
741 3RP 0.8668
742 MI2 0.8667
743 PNP 0.8665
744 F4K 0.8664
745 JYK 0.8664
746 2L2 0.8664
747 0OL 0.8664
748 44V 0.8664
749 II4 0.8663
750 V13 0.8661
751 ISC 0.8660
752 4UO 0.8658
753 XRS 0.8657
754 ODK 0.8656
755 QNM 0.8656
756 XYS XYP 0.8656
757 QBP 0.8654
758 A8D 0.8654
759 MMS 0.8653
760 ZON 0.8653
761 AVA 0.8653
762 AAN 0.8652
763 BJ4 0.8652
764 E7S 0.8651
765 EN1 0.8650
766 BHM 0.8649
767 BPY 0.8647
768 27F 0.8646
769 LLT 0.8645
770 1OT 0.8645
771 W29 0.8644
772 6BK 0.8644
773 2KU 0.8643
774 VM1 0.8643
775 ZZA 0.8642
776 4BX 0.8642
777 PCQ 0.8641
778 JBZ 0.8640
779 536 0.8639
780 XTS 0.8639
781 JFS 0.8638
782 SRO 0.8637
783 5RO 0.8637
784 1EB 0.8635
785 BSA 0.8634
786 DCF 0.8633
787 D87 0.8633
788 0FO 0.8632
789 ALR 0.8632
790 A6P 0.8632
791 80G 0.8631
792 G14 0.8630
793 GRX 0.8628
794 I59 0.8628
795 1KX 0.8627
796 GJG 0.8625
797 PTS 0.8624
798 AUV 0.8624
799 B62 0.8624
800 CFA 0.8622
801 TXW 0.8616
802 S8A 0.8616
803 6DH 0.8616
804 8ZE 0.8615
805 X6P 0.8614
806 HWD 0.8614
807 H4E 0.8610
808 GZ2 0.8610
809 LJ4 0.8609
810 4MB 0.8608
811 5UD 0.8606
812 NAR 0.8606
813 FSU 0.8605
814 8EQ 0.8605
815 4B0 0.8603
816 MPK 0.8603
817 4MP 0.8602
818 L07 0.8601
819 4G2 0.8600
820 HO6 0.8600
821 PUE 0.8600
822 A4V 0.8598
823 TI7 0.8596
824 RUG 0.8596
825 C9E 0.8596
826 AN3 0.8595
827 36E 0.8595
828 IQP 0.8593
829 244 0.8591
830 50C 0.8591
831 MVN 0.8591
832 HC4 0.8590
833 Q9T 0.8589
834 RCV 0.8589
835 WG8 0.8587
836 THU 0.8587
837 MTI 0.8587
838 NGA 0.8585
839 QIF 0.8585
840 5TT 0.8585
841 6ZX 0.8582
842 ZYW 0.8582
843 E35 0.8582
844 TLG 0.8581
845 8NB 0.8580
846 Q5M 0.8580
847 3TV 0.8579
848 PK3 0.8579
849 MTA 0.8576
850 BPU 0.8575
851 DDC 0.8574
852 F4U 0.8572
853 L46 0.8567
854 S8G 0.8565
855 5WU 0.8562
856 XG1 0.8559
857 SDN 0.8555
858 BXZ 0.8552
859 LO1 0.8549
860 IDZ 0.8546
861 2DL 0.8544
862 AZC 0.8544
863 SNV 0.8542
864 56N 0.8538
865 BIE 0.8538
866 JND 0.8537
867 2LT 0.8533
868 JDN 0.8529
869 TRU 0.8527
870 JAK 0.8516
871 Z94 0.8513
Ligand no: 2; Ligand: HAR; Similar ligands found: 232
No: Ligand Similarity coefficient
1 GGB 0.9697
2 ABH 0.9597
3 MLY 0.9572
4 NPI 0.9442
5 KPV 0.9398
6 EXY 0.9387
7 FB6 0.9352
8 DNN 0.9350
9 IAR 0.9342
10 DHH 0.9340
11 MLZ 0.9310
12 26P 0.9307
13 EGV 0.9293
14 Z70 0.9280
15 M3L 0.9279
16 4KJ 0.9264
17 SB7 0.9253
18 LPA 0.9248
19 JGY 0.9242
20 J9Y 0.9233
21 5AB 0.9230
22 S2C 0.9223
23 NOT 0.9223
24 5PV 0.9222
25 TEG 0.9205
26 SB9 0.9188
27 API 0.9179
28 6FG 0.9174
29 E8U 0.9163
30 ENW 0.9160
31 2OR 0.9158
32 PML 0.9144
33 2NP 0.9142
34 GVA 0.9127
35 I58 0.9127
36 2J3 0.9122
37 4ZD 0.9121
38 HJD 0.9118
39 KAP 0.9110
40 ALY 0.9110
41 XI7 0.9109
42 ENV 0.9107
43 11X 0.9088
44 MKN 0.9087
45 ZZU 0.9085
46 NFZ 0.9084
47 SZ7 0.9084
48 OCA 0.9084
49 6C5 0.9072
50 KNA 0.9072
51 DKA 0.9072
52 RGP 0.9066
53 19N 0.9062
54 8AC 0.9057
55 7XA 0.9054
56 S0B 0.9050
57 3GZ 0.9038
58 BZM 0.9037
59 IJ6 0.9036
60 G3M 0.9033
61 JX7 0.9025
62 M5P 0.9022
63 P93 0.9021
64 4Z0 0.9015
65 9J6 0.9008
66 JF5 0.9006
67 OJD 0.9004
68 KLS 0.8995
69 5TO 0.8994
70 9YT 0.8982
71 XOG 0.8979
72 FZ3 0.8977
73 6C9 0.8976
74 1PS 0.8974
75 6C4 0.8974
76 58X 0.8974
77 OOG 0.8973
78 4DI 0.8971
79 LL2 0.8969
80 N8C 0.8959
81 UN1 0.8949
82 D53 0.8947
83 DTB 0.8938
84 IJ1 0.8937
85 S0F 0.8932
86 3CX 0.8930
87 0V7 0.8930
88 PRO GLY 0.8930
89 SPD 0.8923
90 A51 0.8921
91 0QA 0.8920
92 0XR 0.8916
93 TPM 0.8912
94 D4G 0.8909
95 AOY 0.8908
96 GHQ 0.8905
97 GRQ 0.8903
98 GGG 0.8900
99 LVD 0.8898
100 HLP 0.8897
101 MVH 0.8891
102 3S9 0.8890
103 A8K 0.8889
104 TBJ 0.8888
105 AHN 0.8885
106 3IP 0.8885
107 PHQ ALA 0.8877
108 8YH 0.8872
109 011 0.8868
110 DA3 0.8868
111 OKP 0.8865
112 PQV 0.8858
113 YOF 0.8854
114 4TB 0.8848
115 PZX 0.8844
116 4YZ 0.8840
117 9OD 0.8837
118 1HS 0.8837
119 1HR 0.8822
120 S7D 0.8818
121 3YP 0.8817
122 DI9 0.8816
123 7MW 0.8814
124 2FM 0.8811
125 MGB 0.8806
126 DHM 0.8802
127 AZM 0.8802
128 ODI 0.8801
129 A7Q 0.8795
130 FHV 0.8795
131 64Z 0.8791
132 YIP 0.8787
133 D10 0.8781
134 IYR 0.8781
135 MF3 0.8778
136 8CV 0.8773
137 27K 0.8771
138 JFM 0.8770
139 0OP 0.8770
140 M5B 0.8769
141 DX5 0.8769
142 CT0 0.8764
143 6MW 0.8760
144 3GC 0.8760
145 PA5 0.8760
146 SLZ 0.8759
147 YE6 0.8754
148 GLY GLY GLY 0.8754
149 DBE 0.8753
150 N2Y 0.8749
151 F98 0.8749
152 4FP 0.8747
153 OJM 0.8743
154 BSU 0.8743
155 DZA 0.8741
156 PUE 0.8740
157 0L1 0.8739
158 AX5 0.8738
159 ZE7 0.8734
160 KPC 0.8734
161 HPK 0.8732
162 TZP 0.8732
163 IPE 0.8728
164 RP3 0.8725
165 STV 0.8721
166 N9M 0.8719
167 RE4 0.8719
168 E79 0.8711
169 3H2 0.8711
170 SS9 0.8698
171 PBN 0.8697
172 DIA 0.8697
173 5UF 0.8697
174 GAE 0.8696
175 HPX 0.8692
176 4Z1 0.8690
177 4TP 0.8689
178 VFG 0.8688
179 S0A 0.8687
180 A9B 0.8687
181 0K7 0.8685
182 5DS 0.8685
183 HL6 0.8685
184 FXY 0.8684
185 9VQ 0.8682
186 HPL 0.8681
187 A98 0.8680
188 6L6 0.8676
189 PMV 0.8675
190 E4P 0.8673
191 HPO 0.8673
192 37E 0.8671
193 STL 0.8665
194 DXP 0.8660
195 L06 0.8659
196 R10 0.8657
197 HPZ 0.8651
198 HX8 0.8651
199 BZQ 0.8650
200 A5P 0.8647
201 IPR 0.8647
202 YIH 0.8646
203 LYS 0.8643
204 KYN 0.8634
205 D2G 0.8629
206 N9J 0.8624
207 CXP 0.8616
208 PUW 0.8611
209 7N8 0.8609
210 TZM 0.8597
211 TYR 0.8596
212 TMG 0.8595
213 MD6 0.8590
214 BL0 0.8580
215 94X 0.8579
216 NK5 0.8576
217 5O5 0.8575
218 SNR 0.8574
219 CCW 0.8567
220 M2E 0.8566
221 0OY 0.8563
222 11C 0.8562
223 7VY 0.8559
224 0OL 0.8556
225 9JH 0.8555
226 F02 0.8546
227 2JJ 0.8544
228 JVD 0.8543
229 6J5 0.8539
230 5SP 0.8533
231 G6Q 0.8529
232 OC9 0.8523
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4LWA; Ligand: Q13; 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: 4lwa.bio1) has 58 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4LWA; Ligand: Q13; 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: 4lwa.bio2) has 58 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4LWA; Ligand: Q13; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4lwa.bio2) has 58 residues
No: Leader PDB Ligand Sequence Similarity
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