Receptor
PDB id Resolution Class Description Source Keywords
2g5u 1.8 Å NON-ENZYME: TRANSPORT HUMAN TRANSTHYRETIN (TTR) COMPLEXED WITH HYDROXYLATED POLYCH BIPHENYL-4,4'-DIHYDROXY-3,3',5,5'-TETRACHLOROBIPHENYL HOMO SAPIENS TTR AMYLOID TRANSTHYRETIN HORMONE-GROWTH FACTOR COMPLEX
Ref.: HYDROXYLATED POLYCHLORINATED BIPHENYLS SELECTIVELY TRANSTHYRETIN IN BLOOD AND INHIBIT AMYLOIDOGENESIS: RATIONALIZING RODENT PCB TOXICITY CHEM.BIOL. V. 11 1719 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PCQ A:240;
B:239;
Valid;
Valid;
none;
none;
Kd = 3.2 nM
323.987 C12 H6 Cl4 O2 c1c(c...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3TCT 1.3 Å NON-ENZYME: TRANSPORT STRUCTURE OF WILD-TYPE TTR IN COMPLEX WITH TAFAMIDIS HOMO SAPIENS AMYLOID AMYLOIDOSIS DISEASE MUTATION GAMMA-CARBOXYGLUTAMIGLYCOPROTEIN HORMONE NEUROPATHY SECRETED THYROID HORMONTRANSPORT KINETIC STABILIZER INHIBITION OF THE AMYLOID CABINDING PROTEIN
Ref.: TAFAMIDIS, A POTENT AND SELECTIVE TRANSTHYRETIN KIN STABILIZER THAT INHIBITS THE AMYLOID CASCADE. PROC.NATL.ACAD.SCI.USA V. 109 9629 2012
Members (100)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 179 families.
1 1TLM - MIL C12 H9 N3 O CC1=C(C=C(....
2 2QGD - MR5 C13 H7 Br2 N O2 c1ccc2c(c1....
3 2B16 - DNF C6 H4 N2 O5 c1cc(c(cc1....
4 4ABV ic50 = 0.85 uM FT2 C13 H9 Cl3 O2 c1cc(c(cc1....
5 3ESO - DZ2 C13 H7 Br2 Cl2 N O2 c1cc(c(cc1....
6 3GLZ - 1BD C11 H10 F3 N O3 c1ccc(c(c1....
7 2G9K - NE1 C12 H5 Cl5 O c1cc(c(c(c....
8 4HJU - 16L C19 H19 N O2 Cc1cc(cc(c....
9 4PME - CUR C21 H20 O6 COc1cc(ccc....
10 2FLM - 6CA C32 H31 N O6 c1ccc(c(c1....
11 3IMU - IW4 C14 H12 Br2 N2 c1cc(cc(c1....
12 4ABU ic50 = 0.52 uM FT1 C13 H8 Cl2 O3 c1cc(c(cc1....
13 2G5U Kd = 3.2 nM PCQ C12 H6 Cl4 O2 c1c(cc(c(c....
14 3NEX - G24 C24 H24 O4 Cc1cc(cc(c....
15 4DER ic50 = 10.3 uM AGI C15 H10 O5 c1cc(ccc1C....
16 3CN3 - LJ4 C12 H8 Br2 O2 c1ccc(cc1)....
17 3GS4 - 7BD C16 H13 N O3 c1ccc2c(c1....
18 3IPB ic50 = 0.2 uM JZD C37 H38 Cl4 N2 O6 c1ccc(c(c1....
19 1THA - T33 C15 H13 I2 N O4 c1cc(c(cc1....
20 1F86 - T44 C15 H11 I4 N O4 c1c(cc(c(c....
21 1TYR Kd = 0.1 uM REA C20 H28 O2 CC1=C(C(CC....
22 1DVY - BPD C21 H12 F3 N O5 c1cc(cc(c1....
23 4AC2 - 43F C14 H11 Cl3 O2 COc1cc(ccc....
24 3NEE - B72 C20 H24 O4 Cc1cc(cc(c....
25 3GS7 - 8BD C11 H13 N O4 COc1ccccc1....
26 4DEU ic50 = 12.39 uM NAR C15 H12 O5 c1cc(ccc1[....
27 4HIQ Kd = 193 nM 16V C15 H17 F N2 O3 Cc1c(c(n[n....
28 3IMR - IW1 C14 H8 Br2 Cl2 O c1cc(c(c(c....
29 3KGU Kd = 1.2 uM GEN C15 H10 O5 c1cc(ccc1C....
30 4HJT - 18A C19 H21 N O2 CCC(=O)Nc1....
31 3ESP - DZ3 C15 H13 Br2 N O3 Cc1cc(cc(c....
32 1BM7 Kd = 30 nM FLF C14 H10 F3 N O2 c1ccc(c(c1....
33 4L1S - 1W4 C25 H24 F N O2 S Cc1cc(cc(c....
34 1DVU - DBF C14 H8 O5 c1cc2c3ccc....
35 3TCT Kd = 2 nM 3MI C14 H7 Cl2 N O3 c1cc2c(cc1....
36 2FBR - 44C C30 H27 N O6 c1ccc(c(c1....
37 1U21 Kd = 5 nM P2C C13 H9 Cl2 N O5 c1ccc(c(c1....
38 2QGC - MR4 C15 H13 N O2 Cc1cc(cc(c....
39 2B77 - 3CA C13 H8 Cl2 O3 c1cc(c(cc1....
40 2F7I - 26C C13 H8 F2 O2 c1cc(c(c(c....
41 1E4H Kd = 3.9 nM PBR C6 H Br5 O c1(c(c(c(c....
42 4HIS Kd = 247 nM 3MI C14 H7 Cl2 N O3 c1cc2c(cc1....
43 3CN4 - LJ5 C13 H9 Br2 N O2 c1ccc(cc1)....
44 4KY2 - 1W3 C20 H18 O4 Cc1cc(cc(c....
45 3IMV - IW5 C14 H12 Br2 N2 c1cc(ccc1/....
46 2GAB - NE2 C12 H6 Cl4 O c1cc(c(cc1....
47 3CN0 - LJ1 C16 H16 O Cc1cc(cc(c....
48 3GS0 - 6BD C17 H15 N O3 C[C@@H](CO....
49 4PM1 - ESZ C18 H23 Br O2 C[C@]12CC[....
50 1DVX - DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
51 4FI6 - 0U7 C14 H7 Cl2 F N2 O3 S c1cc(cc(c1....
52 3M1O - CJZ C13 H9 Cl2 N O3 c1ccc(c(c1....
53 4L1T - 1WZ C19 H21 N O3 Cc1cc(cc(c....
54 3FCB ic50 = 4.9 uM IFB C16 H12 F2 I N O4 c1cc(c(cc1....
55 1DVT - FLP C15 H13 F O2 C[C@@H](c1....
56 2ROX - T44 C15 H11 I4 N O4 c1c(cc(c(c....
57 3IMS - IW2 C14 H10 Br2 Cl2 O c1cc(c(c(c....
58 4DET ic50 = 8.26 uM KMP C15 H10 O6 c1cc(ccc1C....
59 4HJS Ki = 1.2 uM 18J C18 H21 N O3 S CCS(=O)(=O....
60 3FC8 ic50 = 4.1 uM IFA C17 H14 F2 I N O4 COC(=O)CCN....
61 4I85 - H50 C16 H11 Cl2 F O2 c1cc(c(cc1....
62 3D2T Kd = 1100 nM 1FL C13 H8 F2 O3 c1cc(c(cc1....
63 1E5A Kd = 23 nM TBP C6 H3 Br3 O c1c(cc(c(c....
64 3KGT Kd = 3.1 uM GEN C15 H10 O5 c1cc(ccc1C....
65 3CFT Kd = 64 uM 5NS C10 H9 N O3 S c1cc2c(ccc....
66 1ETA - T44 C15 H11 I4 N O4 c1c(cc(c(c....
67 3IMW - IW6 C16 H15 Br2 N O2 COc1cccc(c....
68 1THC - FL9 C15 H8 Br2 O6 c1c(cc2c(c....
69 4FI7 - 0UA C14 H7 Cl2 F N2 O4 S c1cc(cc(c1....
70 2QGE - MR6 C15 H13 N O Cc1cc(cc(c....
71 3IPE ic50 = 0.15 uM JZE C33 H30 Cl4 N2 O6 c1ccc(c(c1....
72 1TZ8 - DES C18 H20 O2 CC/C(=C(/C....
73 4ABW - 42M C14 H14 N2 O7 COc1cc(ccc....
74 1Z7J - T4A C14 H8 I4 O4 c1c(cc(c(c....
75 4I89 - 1FL C13 H8 F2 O3 c1cc(c(cc1....
76 2B15 - DNF C6 H4 N2 O5 c1cc(c(cc1....
77 3CN1 - LJ2 C14 H10 Br2 O c1ccc(cc1)....
78 2F8I - 205 C14 H7 Cl2 N O3 c1cc(c(c(c....
79 1DVZ Kd = 78 nM OFL C14 H10 F3 N O2 c1ccc(c(c1....
80 2B9A - FBC C13 H8 F2 O2 c1cc(ccc1c....
81 3CFQ - DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
82 1DVS - STL C14 H12 O3 c1cc(ccc1C....
83 3NEO - G24 C24 H24 O4 Cc1cc(cc(c....
84 3IMT - IW3 C14 H11 Br2 N O c1cc(ccc1/....
85 2ROY - P28 C17 H15 N3 O9 CC(=O)N[C@....
86 1TT6 - DES C18 H20 O2 CC/C(=C(/C....
87 4PMF - CUR C21 H20 O6 COc1cc(ccc....
88 3ESN - DZ1 C15 H13 Br2 N O2 Cc1cccc(c1....
89 3B56 - DIU C7 H4 I2 O3 c1c(cc(c(c....
90 3NG5 - KDH C22 H18 O11 c1c(cc(c(c....
91 1Y1D - FHI C13 H7 F2 I O3 c1cc(c(cc1....
92 3CN2 - LJ3 C12 H8 Br2 O c1ccc(cc1)....
93 4DES ic50 = 12.16 uM 57D C15 H10 O4 c1ccc(cc1)....
94 4I87 - H50 C16 H11 Cl2 F O2 c1cc(c(cc1....
95 4FI8 - 0UC C14 H6 Br Cl2 F N2 O4 S c1cc(c(cc1....
96 1ETB - T44 C15 H11 I4 N O4 c1c(cc(c(c....
97 2B14 - DNF C6 H4 N2 O5 c1cc(c(cc1....
98 4ABQ - 4V2 C8 H6 N2 O2 S c1cc(cc(c1....
99 3NES - B72 C20 H24 O4 Cc1cc(cc(c....
100 3CFN Kd = 4.3 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
70% Homology Family (115)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 149 families.
1 1TLM - MIL C12 H9 N3 O CC1=C(C=C(....
2 2QGD - MR5 C13 H7 Br2 N O2 c1ccc2c(c1....
3 2B16 - DNF C6 H4 N2 O5 c1cc(c(cc1....
4 4ABV ic50 = 0.85 uM FT2 C13 H9 Cl3 O2 c1cc(c(cc1....
5 3ESO - DZ2 C13 H7 Br2 Cl2 N O2 c1cc(c(cc1....
6 3GLZ - 1BD C11 H10 F3 N O3 c1ccc(c(c1....
7 2G9K - NE1 C12 H5 Cl5 O c1cc(c(c(c....
8 4HJU - 16L C19 H19 N O2 Cc1cc(cc(c....
9 4PME - CUR C21 H20 O6 COc1cc(ccc....
10 2FLM - 6CA C32 H31 N O6 c1ccc(c(c1....
11 3IMU - IW4 C14 H12 Br2 N2 c1cc(cc(c1....
12 4ABU ic50 = 0.52 uM FT1 C13 H8 Cl2 O3 c1cc(c(cc1....
13 2G5U Kd = 3.2 nM PCQ C12 H6 Cl4 O2 c1c(cc(c(c....
14 3NEX - G24 C24 H24 O4 Cc1cc(cc(c....
15 4DER ic50 = 10.3 uM AGI C15 H10 O5 c1cc(ccc1C....
16 3CN3 - LJ4 C12 H8 Br2 O2 c1ccc(cc1)....
17 3GS4 - 7BD C16 H13 N O3 c1ccc2c(c1....
18 3IPB ic50 = 0.2 uM JZD C37 H38 Cl4 N2 O6 c1ccc(c(c1....
19 1THA - T33 C15 H13 I2 N O4 c1cc(c(cc1....
20 1F86 - T44 C15 H11 I4 N O4 c1c(cc(c(c....
21 1TYR Kd = 0.1 uM REA C20 H28 O2 CC1=C(C(CC....
22 1DVY - BPD C21 H12 F3 N O5 c1cc(cc(c1....
23 4AC2 - 43F C14 H11 Cl3 O2 COc1cc(ccc....
24 3NEE - B72 C20 H24 O4 Cc1cc(cc(c....
25 3GS7 - 8BD C11 H13 N O4 COc1ccccc1....
26 4DEU ic50 = 12.39 uM NAR C15 H12 O5 c1cc(ccc1[....
27 4HIQ Kd = 193 nM 16V C15 H17 F N2 O3 Cc1c(c(n[n....
28 3IMR - IW1 C14 H8 Br2 Cl2 O c1cc(c(c(c....
29 3KGU Kd = 1.2 uM GEN C15 H10 O5 c1cc(ccc1C....
30 4HJT - 18A C19 H21 N O2 CCC(=O)Nc1....
31 3ESP - DZ3 C15 H13 Br2 N O3 Cc1cc(cc(c....
32 1BM7 Kd = 30 nM FLF C14 H10 F3 N O2 c1ccc(c(c1....
33 4L1S - 1W4 C25 H24 F N O2 S Cc1cc(cc(c....
34 1DVU - DBF C14 H8 O5 c1cc2c3ccc....
35 3TCT Kd = 2 nM 3MI C14 H7 Cl2 N O3 c1cc2c(cc1....
36 2FBR - 44C C30 H27 N O6 c1ccc(c(c1....
37 1U21 Kd = 5 nM P2C C13 H9 Cl2 N O5 c1ccc(c(c1....
38 2QGC - MR4 C15 H13 N O2 Cc1cc(cc(c....
39 2B77 - 3CA C13 H8 Cl2 O3 c1cc(c(cc1....
40 2F7I - 26C C13 H8 F2 O2 c1cc(c(c(c....
41 1E4H Kd = 3.9 nM PBR C6 H Br5 O c1(c(c(c(c....
42 4HIS Kd = 247 nM 3MI C14 H7 Cl2 N O3 c1cc2c(cc1....
43 3CN4 - LJ5 C13 H9 Br2 N O2 c1ccc(cc1)....
44 4KY2 - 1W3 C20 H18 O4 Cc1cc(cc(c....
45 3IMV - IW5 C14 H12 Br2 N2 c1cc(ccc1/....
46 2GAB - NE2 C12 H6 Cl4 O c1cc(c(cc1....
47 3CN0 - LJ1 C16 H16 O Cc1cc(cc(c....
48 3GS0 - 6BD C17 H15 N O3 C[C@@H](CO....
49 4PM1 - ESZ C18 H23 Br O2 C[C@]12CC[....
50 1DVX - DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
51 4FI6 - 0U7 C14 H7 Cl2 F N2 O3 S c1cc(cc(c1....
52 3M1O - CJZ C13 H9 Cl2 N O3 c1ccc(c(c1....
53 4L1T - 1WZ C19 H21 N O3 Cc1cc(cc(c....
54 3FCB ic50 = 4.9 uM IFB C16 H12 F2 I N O4 c1cc(c(cc1....
55 1DVT - FLP C15 H13 F O2 C[C@@H](c1....
56 2ROX - T44 C15 H11 I4 N O4 c1c(cc(c(c....
57 3IMS - IW2 C14 H10 Br2 Cl2 O c1cc(c(c(c....
58 4DET ic50 = 8.26 uM KMP C15 H10 O6 c1cc(ccc1C....
59 4HJS Ki = 1.2 uM 18J C18 H21 N O3 S CCS(=O)(=O....
60 3FC8 ic50 = 4.1 uM IFA C17 H14 F2 I N O4 COC(=O)CCN....
61 4I85 - H50 C16 H11 Cl2 F O2 c1cc(c(cc1....
62 3D2T Kd = 1100 nM 1FL C13 H8 F2 O3 c1cc(c(cc1....
63 1E5A Kd = 23 nM TBP C6 H3 Br3 O c1c(cc(c(c....
64 3KGT Kd = 3.1 uM GEN C15 H10 O5 c1cc(ccc1C....
65 3CFT Kd = 64 uM 5NS C10 H9 N O3 S c1cc2c(ccc....
66 1ETA - T44 C15 H11 I4 N O4 c1c(cc(c(c....
67 3IMW - IW6 C16 H15 Br2 N O2 COc1cccc(c....
68 1THC - FL9 C15 H8 Br2 O6 c1c(cc2c(c....
69 4FI7 - 0UA C14 H7 Cl2 F N2 O4 S c1cc(cc(c1....
70 2QGE - MR6 C15 H13 N O Cc1cc(cc(c....
71 3IPE ic50 = 0.15 uM JZE C33 H30 Cl4 N2 O6 c1ccc(c(c1....
72 1TZ8 - DES C18 H20 O2 CC/C(=C(/C....
73 4ABW - 42M C14 H14 N2 O7 COc1cc(ccc....
74 1Z7J - T4A C14 H8 I4 O4 c1c(cc(c(c....
75 4I89 - 1FL C13 H8 F2 O3 c1cc(c(cc1....
76 2B15 - DNF C6 H4 N2 O5 c1cc(c(cc1....
77 3CN1 - LJ2 C14 H10 Br2 O c1ccc(cc1)....
78 2F8I - 205 C14 H7 Cl2 N O3 c1cc(c(c(c....
79 1DVZ Kd = 78 nM OFL C14 H10 F3 N O2 c1ccc(c(c1....
80 2B9A - FBC C13 H8 F2 O2 c1cc(ccc1c....
81 3CFQ - DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
82 1DVS - STL C14 H12 O3 c1cc(ccc1C....
83 3NEO - G24 C24 H24 O4 Cc1cc(cc(c....
84 3IMT - IW3 C14 H11 Br2 N O c1cc(ccc1/....
85 2ROY - P28 C17 H15 N3 O9 CC(=O)N[C@....
86 1TT6 - DES C18 H20 O2 CC/C(=C(/C....
87 4PMF - CUR C21 H20 O6 COc1cc(ccc....
88 3ESN - DZ1 C15 H13 Br2 N O2 Cc1cccc(c1....
89 3B56 - DIU C7 H4 I2 O3 c1c(cc(c(c....
90 3NG5 - KDH C22 H18 O11 c1c(cc(c(c....
91 1Y1D - FHI C13 H7 F2 I O3 c1cc(c(cc1....
92 3CN2 - LJ3 C12 H8 Br2 O c1ccc(cc1)....
93 4DES ic50 = 12.16 uM 57D C15 H10 O4 c1ccc(cc1)....
94 4I87 - H50 C16 H11 Cl2 F O2 c1cc(c(cc1....
95 4FI8 - 0UC C14 H6 Br Cl2 F N2 O4 S c1cc(c(cc1....
96 1ETB - T44 C15 H11 I4 N O4 c1c(cc(c(c....
97 2B14 - DNF C6 H4 N2 O5 c1cc(c(cc1....
98 4ABQ - 4V2 C8 H6 N2 O2 S c1cc(cc(c1....
99 3NES - B72 C20 H24 O4 Cc1cc(cc(c....
100 3CFN Kd = 4.3 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
101 4PWI - ROA C18 H16 O8 c1cc(c(cc1....
102 4PWJ - 30Z C18 H22 O4 C[C@@H](Cc....
103 4PWF - PWF C18 H18 O4 COc1cc(ccc....
104 4PWK - PWK C20 H26 O4 C[C@H](Cc1....
105 4N86 - GBJ C20 H20 O4 CC1(C=Cc2c....
106 4PWG - 0XR C11 H12 O4 CCOC(=O)/C....
107 4QRF - QAP C17 H16 O4 c1ccc(cc1)....
108 4N87 - GBJ C20 H20 O4 CC1(C=Cc2c....
109 4PWH - PWH C14 H16 O4 CC(=CCOC(=....
110 4DEW ic50 = 6.38 uM LU2 C15 H10 O6 c1cc(c(cc1....
111 1SN0 - T44 C15 H11 I4 N O4 c1c(cc(c(c....
112 1SN5 - T3 C15 H12 I3 N O4 c1cc(c(cc1....
113 1KGJ - FL8 C16 H10 Br2 O4 CC1=C(Oc2c....
114 1IE4 - T44 C15 H11 I4 N O4 c1c(cc(c(c....
115 1KGI - T4A C14 H8 I4 O4 c1c(cc(c(c....
50% Homology Family (115)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 123 families.
1 1TLM - MIL C12 H9 N3 O CC1=C(C=C(....
2 2QGD - MR5 C13 H7 Br2 N O2 c1ccc2c(c1....
3 2B16 - DNF C6 H4 N2 O5 c1cc(c(cc1....
4 4ABV ic50 = 0.85 uM FT2 C13 H9 Cl3 O2 c1cc(c(cc1....
5 3ESO - DZ2 C13 H7 Br2 Cl2 N O2 c1cc(c(cc1....
6 3GLZ - 1BD C11 H10 F3 N O3 c1ccc(c(c1....
7 2G9K - NE1 C12 H5 Cl5 O c1cc(c(c(c....
8 4HJU - 16L C19 H19 N O2 Cc1cc(cc(c....
9 4PME - CUR C21 H20 O6 COc1cc(ccc....
10 2FLM - 6CA C32 H31 N O6 c1ccc(c(c1....
11 3IMU - IW4 C14 H12 Br2 N2 c1cc(cc(c1....
12 4ABU ic50 = 0.52 uM FT1 C13 H8 Cl2 O3 c1cc(c(cc1....
13 2G5U Kd = 3.2 nM PCQ C12 H6 Cl4 O2 c1c(cc(c(c....
14 3NEX - G24 C24 H24 O4 Cc1cc(cc(c....
15 4DER ic50 = 10.3 uM AGI C15 H10 O5 c1cc(ccc1C....
16 3CN3 - LJ4 C12 H8 Br2 O2 c1ccc(cc1)....
17 3GS4 - 7BD C16 H13 N O3 c1ccc2c(c1....
18 3IPB ic50 = 0.2 uM JZD C37 H38 Cl4 N2 O6 c1ccc(c(c1....
19 1THA - T33 C15 H13 I2 N O4 c1cc(c(cc1....
20 1F86 - T44 C15 H11 I4 N O4 c1c(cc(c(c....
21 1TYR Kd = 0.1 uM REA C20 H28 O2 CC1=C(C(CC....
22 1DVY - BPD C21 H12 F3 N O5 c1cc(cc(c1....
23 4AC2 - 43F C14 H11 Cl3 O2 COc1cc(ccc....
24 3NEE - B72 C20 H24 O4 Cc1cc(cc(c....
25 3GS7 - 8BD C11 H13 N O4 COc1ccccc1....
26 4DEU ic50 = 12.39 uM NAR C15 H12 O5 c1cc(ccc1[....
27 4HIQ Kd = 193 nM 16V C15 H17 F N2 O3 Cc1c(c(n[n....
28 3IMR - IW1 C14 H8 Br2 Cl2 O c1cc(c(c(c....
29 3KGU Kd = 1.2 uM GEN C15 H10 O5 c1cc(ccc1C....
30 4HJT - 18A C19 H21 N O2 CCC(=O)Nc1....
31 3ESP - DZ3 C15 H13 Br2 N O3 Cc1cc(cc(c....
32 1BM7 Kd = 30 nM FLF C14 H10 F3 N O2 c1ccc(c(c1....
33 4L1S - 1W4 C25 H24 F N O2 S Cc1cc(cc(c....
34 1DVU - DBF C14 H8 O5 c1cc2c3ccc....
35 3TCT Kd = 2 nM 3MI C14 H7 Cl2 N O3 c1cc2c(cc1....
36 2FBR - 44C C30 H27 N O6 c1ccc(c(c1....
37 1U21 Kd = 5 nM P2C C13 H9 Cl2 N O5 c1ccc(c(c1....
38 2QGC - MR4 C15 H13 N O2 Cc1cc(cc(c....
39 2B77 - 3CA C13 H8 Cl2 O3 c1cc(c(cc1....
40 2F7I - 26C C13 H8 F2 O2 c1cc(c(c(c....
41 1E4H Kd = 3.9 nM PBR C6 H Br5 O c1(c(c(c(c....
42 4HIS Kd = 247 nM 3MI C14 H7 Cl2 N O3 c1cc2c(cc1....
43 3CN4 - LJ5 C13 H9 Br2 N O2 c1ccc(cc1)....
44 4KY2 - 1W3 C20 H18 O4 Cc1cc(cc(c....
45 3IMV - IW5 C14 H12 Br2 N2 c1cc(ccc1/....
46 2GAB - NE2 C12 H6 Cl4 O c1cc(c(cc1....
47 3CN0 - LJ1 C16 H16 O Cc1cc(cc(c....
48 3GS0 - 6BD C17 H15 N O3 C[C@@H](CO....
49 4PM1 - ESZ C18 H23 Br O2 C[C@]12CC[....
50 1DVX - DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
51 4FI6 - 0U7 C14 H7 Cl2 F N2 O3 S c1cc(cc(c1....
52 3M1O - CJZ C13 H9 Cl2 N O3 c1ccc(c(c1....
53 4L1T - 1WZ C19 H21 N O3 Cc1cc(cc(c....
54 3FCB ic50 = 4.9 uM IFB C16 H12 F2 I N O4 c1cc(c(cc1....
55 1DVT - FLP C15 H13 F O2 C[C@@H](c1....
56 2ROX - T44 C15 H11 I4 N O4 c1c(cc(c(c....
57 3IMS - IW2 C14 H10 Br2 Cl2 O c1cc(c(c(c....
58 4DET ic50 = 8.26 uM KMP C15 H10 O6 c1cc(ccc1C....
59 4HJS Ki = 1.2 uM 18J C18 H21 N O3 S CCS(=O)(=O....
60 3FC8 ic50 = 4.1 uM IFA C17 H14 F2 I N O4 COC(=O)CCN....
61 4I85 - H50 C16 H11 Cl2 F O2 c1cc(c(cc1....
62 3D2T Kd = 1100 nM 1FL C13 H8 F2 O3 c1cc(c(cc1....
63 1E5A Kd = 23 nM TBP C6 H3 Br3 O c1c(cc(c(c....
64 3KGT Kd = 3.1 uM GEN C15 H10 O5 c1cc(ccc1C....
65 3CFT Kd = 64 uM 5NS C10 H9 N O3 S c1cc2c(ccc....
66 1ETA - T44 C15 H11 I4 N O4 c1c(cc(c(c....
67 3IMW - IW6 C16 H15 Br2 N O2 COc1cccc(c....
68 1THC - FL9 C15 H8 Br2 O6 c1c(cc2c(c....
69 4FI7 - 0UA C14 H7 Cl2 F N2 O4 S c1cc(cc(c1....
70 2QGE - MR6 C15 H13 N O Cc1cc(cc(c....
71 3IPE ic50 = 0.15 uM JZE C33 H30 Cl4 N2 O6 c1ccc(c(c1....
72 1TZ8 - DES C18 H20 O2 CC/C(=C(/C....
73 4ABW - 42M C14 H14 N2 O7 COc1cc(ccc....
74 1Z7J - T4A C14 H8 I4 O4 c1c(cc(c(c....
75 4I89 - 1FL C13 H8 F2 O3 c1cc(c(cc1....
76 2B15 - DNF C6 H4 N2 O5 c1cc(c(cc1....
77 3CN1 - LJ2 C14 H10 Br2 O c1ccc(cc1)....
78 2F8I - 205 C14 H7 Cl2 N O3 c1cc(c(c(c....
79 1DVZ Kd = 78 nM OFL C14 H10 F3 N O2 c1ccc(c(c1....
80 2B9A - FBC C13 H8 F2 O2 c1cc(ccc1c....
81 3CFQ - DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
82 1DVS - STL C14 H12 O3 c1cc(ccc1C....
83 3NEO - G24 C24 H24 O4 Cc1cc(cc(c....
84 3IMT - IW3 C14 H11 Br2 N O c1cc(ccc1/....
85 2ROY - P28 C17 H15 N3 O9 CC(=O)N[C@....
86 1TT6 - DES C18 H20 O2 CC/C(=C(/C....
87 4PMF - CUR C21 H20 O6 COc1cc(ccc....
88 3ESN - DZ1 C15 H13 Br2 N O2 Cc1cccc(c1....
89 3B56 - DIU C7 H4 I2 O3 c1c(cc(c(c....
90 3NG5 - KDH C22 H18 O11 c1c(cc(c(c....
91 1Y1D - FHI C13 H7 F2 I O3 c1cc(c(cc1....
92 3CN2 - LJ3 C12 H8 Br2 O c1ccc(cc1)....
93 4DES ic50 = 12.16 uM 57D C15 H10 O4 c1ccc(cc1)....
94 4I87 - H50 C16 H11 Cl2 F O2 c1cc(c(cc1....
95 4FI8 - 0UC C14 H6 Br Cl2 F N2 O4 S c1cc(c(cc1....
96 1ETB - T44 C15 H11 I4 N O4 c1c(cc(c(c....
97 2B14 - DNF C6 H4 N2 O5 c1cc(c(cc1....
98 4ABQ - 4V2 C8 H6 N2 O2 S c1cc(cc(c1....
99 3NES - B72 C20 H24 O4 Cc1cc(cc(c....
100 3CFN Kd = 4.3 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
101 4PWI - ROA C18 H16 O8 c1cc(c(cc1....
102 4PWJ - 30Z C18 H22 O4 C[C@@H](Cc....
103 4PWF - PWF C18 H18 O4 COc1cc(ccc....
104 4PWK - PWK C20 H26 O4 C[C@H](Cc1....
105 4N86 - GBJ C20 H20 O4 CC1(C=Cc2c....
106 4PWG - 0XR C11 H12 O4 CCOC(=O)/C....
107 4QRF - QAP C17 H16 O4 c1ccc(cc1)....
108 4N87 - GBJ C20 H20 O4 CC1(C=Cc2c....
109 4PWH - PWH C14 H16 O4 CC(=CCOC(=....
110 4DEW ic50 = 6.38 uM LU2 C15 H10 O6 c1cc(c(cc1....
111 1SN0 - T44 C15 H11 I4 N O4 c1c(cc(c(c....
112 1SN5 - T3 C15 H12 I3 N O4 c1cc(c(cc1....
113 1KGJ - FL8 C16 H10 Br2 O4 CC1=C(Oc2c....
114 1IE4 - T44 C15 H11 I4 N O4 c1c(cc(c(c....
115 1KGI - T4A C14 H8 I4 O4 c1c(cc(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PCQ; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 PCQ 1 1
2 NE2 0.566667 0.913043
3 T6C 0.565217 0.73913
4 NE1 0.428571 0.913043
5 XDH 0.4 0.785714
Similar Binding Sites
Pocket no: 1; Query (leader) PDB : 3TCT; Ligand: 3MI; Similar sites found: 733
This union binding pocket (no: 1) in the query (biounit: 3tct.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 3TCT 3MI 1.282e-27 1
2 4DEW LU2 2.442e-15 0.49018
3 2IMP NAI 0.0008129 0.41215
4 4B63 NAP 0.006204 0.40069
5 2V6O FAD 0.002399 0.39845
6 1YBH FAD 0.003281 0.39814
7 4WB9 NAI 0.002006 0.39802
8 1TDF FAD 0.001479 0.39409
9 4Q0P 0MK 0.0256 0.39157
10 1KY8 NAP 0.009422 0.3856
11 2YVF FAD 0.003511 0.38523
12 1QJC PNS 0.00329 0.38484
13 1VDC FAD 0.002044 0.38297
14 3EAU NDP 0.02733 0.382
15 3HB5 E2B 0.003839 0.38177
16 1I2B NAD 0.002328 0.38047
17 1V5F FAD 0.03495 0.37932
18 1X09 IPE 0.003961 0.37887
19 3PFG TLO 0.001557 0.37855
20 4ASJ N6A 0.007634 0.37577
21 1SB8 NAD 0.005066 0.37509
22 1RM0 NAI 0.004791 0.37487
23 1HYU FAD 0.001418 0.37209
24 1EDO NAP 0.01462 0.37186
25 2NVK FAD 0.003974 0.37021
26 1SAY PYR 0.04069 0.36969
27 4KGD TDP 0.02173 0.3693
28 2CKM AA7 0.004902 0.36887
29 1LVL FAD 0.004105 0.36766
30 1LTH OXM 0.02433 0.36669
31 4E1N TQX 0.0198 0.36614
32 4NE2 ADP 0.004157 0.36461
33 3OIG NAD 0.01995 0.36402
34 4CS4 ANP 0.006318 0.3639
35 1R6D DAU 0.01317 0.36376
36 3MBG FAD 0.0001302 0.3626
37 4NAT 2W5 0.03524 0.36257
38 4MP8 MLI 0.003474 0.36196
39 3PL8 FAD 0.04269 0.36176
40 2C31 TZD 0.0359 0.36175
41 1N1G BCP 0.01915 0.36163
42 1B7Y FYA 0.0006211 0.36161
43 2XEG CI9 0.0008985 0.36127
44 3R35 4CO 0.02397 0.36107
45 2DWO ADP 0.002627 0.36056
46 1ZK4 AC0 0.04717 0.36047
47 3DJL FAD 0.04735 0.36042
48 1C0I BE2 0.01226 0.36027
49 1G0N NDP 0.006789 0.36027
50 1TYU GLA 0.004069 0.36023
51 1DLJ NAI 0.01146 0.3601
52 1KGQ NPI 0.03878 0.3596
53 3C1Y 2BA 0.02496 0.35843
54 1M83 ATP 0.008733 0.35758
55 2C7G FAD 0.004617 0.35746
56 3LZW NAP 0.02526 0.35678
57 3OND NAD 0.01796 0.35672
58 2VJJ RAM 0.02081 0.35669
59 4NTD FAD 0.007779 0.35653
60 2B5W NAP 0.006299 0.35636
61 1D6H COA 0.0163 0.35604
62 1FIQ MTE 0.005236 0.35576
63 1QF5 GDP 0.02131 0.35558
64 4PNI KQQ 0.0007968 0.35542
65 4W6Z 8ID 0.005508 0.35509
66 2QIA U20 0.02424 0.35489
67 1V35 NAI 0.01744 0.35432
68 3JYN NDP 0.005052 0.35396
69 1UDB NAD 0.03203 0.35316
70 2E2R 2OH 0.00383 0.35295
71 1BUC FAD 0.02314 0.35288
72 3HAZ NAD 0.002469 0.35286
73 4K5S FAD 0.02034 0.35255
74 1VBI NAD 0.001538 0.3525
75 4C12 ADP 0.02768 0.35249
76 2GSD NAD 0.004097 0.35247
77 4LPG 1MV 0.04387 0.35227
78 4PLG NAI 0.01037 0.35222
79 4AT0 FAD 0.02938 0.35179
80 1P4C FMN 0.04831 0.35177
81 2YBQ UP2 0.008652 0.3515
82 1UUY MTE 0.01501 0.35132
83 2Q1S NAI 0.02174 0.35085
84 2YB9 HA0 0.00225 0.35041
85 1A5Z NAD 0.02488 0.35023
86 2NLI LAC 0.04913 0.35018
87 3RFV NAI 0.004518 0.35018
88 2BII MTV 0.001522 0.34997
89 2G86 UMP 0.01722 0.34993
90 3O55 FAD 0.0004968 0.34989
91 3WBF API 0.01066 0.3498
92 2BJK NAD 0.04306 0.34922
93 4L1F FAD 0.003909 0.34902
94 4KS1 2H8 0.02357 0.34896
95 4CMF PXG 0.03743 0.34892
96 3U5S FAD 0.0002493 0.34868
97 4B8V NDG 0.002612 0.34778
98 1MVN PCO 0.04992 0.34743
99 4KQL 1SG 0.0298 0.34722
100 1HDR NAD 0.005636 0.3469
101 1GS5 ANP 0.01124 0.34687
102 3HZS M0E 0.0104 0.34648
103 2YHW BM3 0.00507 0.34604
104 2RH4 EMO 0.03616 0.3459
105 4KWI 1TJ 0.04015 0.34557
106 1FIQ FAD 0.01508 0.34433
107 1A27 NAP 0.006476 0.34433
108 4IZC 1GZ 0.03447 0.34413
109 4CKU P2F 0.04454 0.34348
110 2GIU FBR 0.002066 0.34332
111 1UXG FUM 0.03699 0.34284
112 4EKV BTN 0.02414 0.34276
113 3CF6 SP1 0.004062 0.34276
114 4NDA NIY 0.001883 0.34255
115 2GDZ NAD 0.0113 0.34232
116 1FMC CHO 0.02314 0.34183
117 2CSN CKI 0.003715 0.34176
118 1OAA OAA 0.02694 0.34158
119 1HKU NAD 0.02706 0.34128
120 2BS5 BGC 0.04645 0.34071
121 3IOI 1GW 0.02336 0.34044
122 1SJW NGV 0.02405 0.33996
123 1EP2 FMN 0.009272 0.3399
124 1NUS APC 0.01333 0.33982
125 1RYI GOA 0.04835 0.33977
126 3IPQ 965 0.009147 0.33958
127 1CSI CMX 0.02743 0.33909
128 3D3W NAP 0.0258 0.33894
129 1H2B NAJ 0.01507 0.33884
130 3CKZ ZMR 0.04662 0.33871
131 2EWM NAD 0.00864 0.33866
132 1A69 FMB 0.03761 0.33864
133 1NN5 ANP 0.01456 0.33848
134 3LPF Z77 0.001951 0.3384
135 3BW2 FMN 0.005725 0.33824
136 2PT9 2MH 0.0221 0.33793
137 4OE4 NAD 0.02046 0.33783
138 1B8U NAD 0.008918 0.33778
139 2RGH FAD 0.04289 0.33774
140 2ORV 4TA 0.002354 0.33759
141 3HAZ FAD 0.01637 0.33751
142 2NXW TPP 0.03274 0.33708
143 2VBQ BSJ 0.01711 0.33678
144 2R14 FMN 0.01953 0.33668
145 3LEO GSH 0.008986 0.33663
146 2J8Z NAP 0.006541 0.33654
147 1KOL NAD 0.02542 0.33629
148 2DTX BMA 0.02373 0.33608
149 1HFS L04 0.02698 0.33607
150 3NBK PNS 0.01901 0.33603
151 3PVT 3HC 0.04424 0.33531
152 1NJR XYL 0.009216 0.33529
153 1BGQ RDC 0.009133 0.33522
154 1GV0 NAD 0.009795 0.33483
155 2QA1 FAD 0.03111 0.33462
156 2WIC GNP 0.005386 0.33458
157 4R33 SAH 0.02285 0.33453
158 3GEG NAD 0.01366 0.33443
159 3AHC TPP 0.01204 0.3344
160 2QQ0 TMP 0.01416 0.33424
161 9LDT NAD 0.01034 0.33417
162 1B4P GPS 0.01656 0.33392
163 1H9G COA 0.01073 0.33375
164 2NP9 YE1 0.01678 0.33371
165 3FED BIX 0.002045 0.33345
166 2JF9 OHT 0.002281 0.33336
167 4KQI NIO 0.01192 0.33336
168 1P9B GDP 0.001177 0.33333
169 3SJ7 NDP 0.02182 0.33329
170 4B4D FAD 0.004779 0.33313
171 4AL0 GSH 0.02122 0.33287
172 4INB 1F6 0.03822 0.33272
173 3QUR ADP 0.01678 0.33256
174 2Q2V NAD 0.03141 0.33249
175 2AEB ABH 0.0231 0.3321
176 4IEN GDP 0.01788 0.33201
177 4IEN COA 0.03152 0.33199
178 2YYJ 4HP 0.0492 0.33178
179 1FP1 SAH 0.04583 0.33166
180 2IZZ NAD 0.01324 0.3315
181 2IMF TOM 0.007258 0.33134
182 3E5H GNP 0.00443 0.33127
183 2V7T SAH 0.009079 0.33105
184 3WO0 ADP 0.0427 0.33093
185 4JDC NAD 0.0129 0.33083
186 3MCT SAH 0.003358 0.33064
187 1RY2 AMP 0.007101 0.3305
188 3KO8 NAD 0.04431 0.3304
189 2DKH FAD 0.02013 0.33033
190 4BPM GSH 0.005102 0.33027
191 3BK2 U5P 0.02653 0.32971
192 4DQ2 BTX 0.01471 0.3295
193 3OIG IMJ 0.01043 0.32939
194 1DXY NAD 0.01567 0.32908
195 1WVG APR 0.01549 0.32906
196 3U4C NDP 0.02399 0.32896
197 1VE3 SAM 0.006323 0.32868
198 1UJ2 C5P 0.01955 0.32813
199 1EZV SMA 0.005863 0.3281
200 1PL6 572 0.03855 0.32807
201 3HF3 FMN 0.002777 0.32794
202 2C7G ODP 0.005561 0.32767
203 4LKK SIA 0.02122 0.32732
204 2NU8 COA 0.00767 0.32713
205 1RHC F42 0.03481 0.32713
206 3OZG SSI 0.0007162 0.32711
207 3SFI 3SF 0.03656 0.32695
208 3JQ3 ADP 0.0002328 0.32695
209 1X54 4AD 0.01698 0.32687
210 1V9N NDP 0.02752 0.32677
211 2B82 ADN 0.01332 0.32654
212 2J7T 274 0.004824 0.32622
213 1SNY NAP 0.01396 0.3261
214 1YOE RIB 0.04858 0.32606
215 1KBJ FMN 0.008427 0.32598
216 1KBI PYR 0.01504 0.32597
217 1Z45 NAD 0.02695 0.32593
218 2ZX7 ZX7 0.03798 0.32592
219 1Z45 UPG 0.001789 0.32583
220 3DDC GNP 0.01453 0.32537
221 4L6C 0BT 0.008352 0.32536
222 2RL1 UD1 0.01253 0.32529
223 1KBI FMN 0.0126 0.32529
224 3H9E NAD 0.01724 0.32511
225 2GNK ATP 0.0007577 0.32497
226 3ULK NDP 0.01352 0.32485
227 1OYB HBA 0.01624 0.32458
228 1TOI HCI 0.02565 0.32457
229 1NZY BCA 0.00722 0.32455
230 3PJU C2E 0.01188 0.32425
231 2CFA FAD 0.006157 0.32424
232 1HEX NAD 0.02849 0.32378
233 1SOW NAD 0.04523 0.32337
234 1OGZ EQU 0.004038 0.32333
235 1L8N GCW 0.009018 0.32319
236 1JUV NDP 0.02682 0.32318
237 4F4S EFO 0.008304 0.32307
238 1L1Q 9DA 0.005223 0.32302
239 1CX9 NHP 0.01243 0.32283
240 1O9D GLN 0.02774 0.32281
241 1JQI FAD 0.04657 0.32232
242 2NX1 RP5 0.03613 0.32206
243 3BAZ NAP 0.01265 0.32203
244 3VPD ANP 0.01326 0.32174
245 3FKQ ATP 0.003081 0.32158
246 8CAT NDP 0.008332 0.32142
247 4BX7 B4F 0.02326 0.3213
248 3SJU NDP 0.04405 0.32125
249 4M5P FMN 0.005161 0.32087
250 1VQ2 DDN 0.005948 0.32005
251 2WMO GTP 0.006638 0.32003
252 4BMO FMN 0.02023 0.31995
253 2VAR ANP 0.00617 0.31978
254 1I0Z NAI 0.02897 0.31976
255 1C3V NDP 0.03947 0.31964
256 1JQN DCO 0.02336 0.3196
257 1GSL FUC 0.00135 0.3196
258 3ZOD FMN 0.04174 0.31954
259 4IOK ADP 0.02374 0.31926
260 1DSS NAD 0.01319 0.3191
261 1POC GEL 0.007464 0.31845
262 4P53 NAI 0.03473 0.3181
263 3DAG FEG 0.03779 0.31804
264 4PRX ADP 0.04161 0.31774
265 1LYX PGA 0.04785 0.31754
266 3BL6 FMC 0.00937 0.31741
267 4LNL 2BK 0.0039 0.31733
268 1PKK DCP 0.01766 0.31733
269 4LNL 2BO 0.0039 0.31733
270 2JE7 XMM 0.03004 0.3171
271 2D2I NAP 0.04157 0.31699
272 1M7Y PPG 0.02157 0.31697
273 4C6F NCD 0.002967 0.31694
274 2E1Z B4P 0.03813 0.31678
275 1EJE FMN 0.01876 0.31664
276 2YNM ADP 0.009582 0.31657
277 3HY8 FMN 0.03854 0.31639
278 1GAD NAD 0.0336 0.31639
279 4QDF 30Q 0.02451 0.31619
280 4LSJ LSJ 0.03979 0.31585
281 1QPB TPP 0.03927 0.31584
282 3P0K FAD 0.0221 0.3156
283 1MXI SAH 0.008726 0.31535
284 4IMG NGF 0.004033 0.31532
285 3HQJ COA 0.01086 0.31524
286 4QUJ ACE 0.00539 0.31518
287 3GL6 ALA 0.00271 0.315
288 2HV8 GTP 0.02689 0.31491
289 4E13 NAD 0.02151 0.31485
290 1V2X SAM 0.004815 0.31477
291 3O7B SAH 0.008195 0.3147
292 2XK9 XK9 0.04729 0.31442
293 3TKA SAM 0.02579 0.31427
294 3ZS7 ATP 0.02919 0.31421
295 2EFJ SAH 0.006652 0.31419
296 3ZRR PXG 0.01444 0.31418
297 3QXC ATP 0.02001 0.31409
298 4MOB ADP 0.004614 0.31402
299 2OZE AGS 0.006097 0.31399
300 4NES UD1 0.00812 0.31397
301 1P9B IMO 0.01554 0.31387
302 3I51 45C 0.03706 0.31375
303 2ZSC BTN 0.003862 0.31373
304 4PB2 5UD 0.007356 0.31352
305 2YCD GTB 0.003941 0.3135
306 4M3B 2B2 0.02674 0.31331
307 3RHZ UDP 0.003628 0.31294
308 4M37 SAH 0.01583 0.31242
309 1B9I PXG 0.04633 0.31237
310 1WVG CXY 0.02735 0.31233
311 4UAL 3FV 0.01875 0.31232
312 4QCK ASD 0.02293 0.31227
313 3B1F NAD 0.01334 0.31202
314 1VF1 GSH 0.019 0.31201
315 6FIV 3TL 0.005225 0.31182
316 4PTZ FMN 0.012 0.31178
317 1MK1 APR 0.02169 0.31176
318 1ECC PCP 0.03817 0.31171
319 1B55 4IP 0.005462 0.31162
320 4HR0 PLM 0.02259 0.31161
321 4D02 FMN 0.01997 0.31158
322 1RZY 5AS 0.01236 0.3115
323 3CBG SAH 0.01566 0.31145
324 3UH0 TSB 0.01651 0.31143
325 1UBY DMA 0.01251 0.31137
326 1Y52 BTN 0.007883 0.31125
327 1EP2 FAD 0.03194 0.31116
328 4I71 AGV 0.02706 0.31114
329 1FW1 GSH 0.009067 0.3111
330 4B9E FAH 0.005457 0.31105
331 4WNB 4BN 0.01295 0.31081
332 3ZY6 GFB 0.03197 0.31075
333 2RHQ GAX 0.01255 0.31074
334 2VLH PM9 0.02496 0.3105
335 2UZ2 BTN 0.02126 0.31049
336 1HDG NAD 0.04782 0.31047
337 1VPT SAM 0.02191 0.31031
338 1V6A TRE 0.01169 0.3103
339 1DUC DUD 0.0329 0.31026
340 1LVL NAD 0.0155 0.31025
341 1KDK DHT 0.04005 0.31022
342 1VPM COA 0.03143 0.31008
343 3IL6 B83 0.007391 0.30987
344 2D4N DUP 0.02916 0.30987
345 2AG8 NAP 0.02007 0.30938
346 1Y8O ADP 0.0006199 0.30918
347 4LXH C1E 0.0115 0.30913
348 2HGS ADP 0.0433 0.30878
349 2YDW WSH 0.002832 0.30849
350 3SVL FMN 0.009689 0.30792
351 1QB7 ADE 0.006221 0.30782
352 2WUF KEM 0.007534 0.3078
353 1SJD NPG 0.04107 0.30768
354 2Q8M FBP 0.005025 0.30762
355 2J51 DKI 0.002395 0.30759
356 1TFZ 869 0.02147 0.30753
357 1T57 FMN 0.03977 0.30744
358 3KJI ADP 0.01213 0.30738
359 2QQF A1R 0.03998 0.3072
360 2Q28 ADP 0.04053 0.30719
361 4WX0 HXD 0.004285 0.30715
362 1CBF SAH 0.01092 0.30704
363 3I51 6PL 0.04306 0.30691
364 2PNZ UDP 0.01774 0.30671
365 3CR4 PNT 0.01491 0.30652
366 3B20 NAD 0.02676 0.30636
367 4M5S GLY 0.005367 0.30628
368 4KCT FDP 0.004004 0.30627
369 1E4E ADP 0.0354 0.30588
370 1Y2W NAG 0.0003126 0.30568
371 2HVW DDN 0.01183 0.30561
372 1AUX AGS 0.008336 0.3056
373 2Q9U FMN 0.02534 0.30559
374 2QF7 AGS 0.0103 0.30531
375 1I2L DCS 0.01895 0.30516
376 2D0V PQQ 0.02857 0.30505
377 2HW1 ANP 0.0125 0.30483
378 3ZF8 GDP 0.003567 0.30479
379 4OJ8 AKG 0.02827 0.30476
380 4G4S LDZ 0.004242 0.30467
381 2JAR UMP 0.009508 0.30463
382 3QQA TCH 0.01866 0.30457
383 1W7J ADP 0.0295 0.30451
384 3V91 UPG 0.04784 0.30449
385 4P4T GDP 0.01595 0.30442
386 1QW9 KHP 0.03855 0.30429
387 3V1V GST 0.02216 0.30427
388 2EFJ 37T 0.001465 0.30422
389 3MD0 GDP 0.004848 0.30401
390 3B96 MYA 0.01272 0.30398
391 1LL2 UPG 0.04629 0.30392
392 1OIK AKG 0.00286 0.3039
393 3JDW ORN 0.00342 0.3037
394 4J7H TRH 0.02457 0.30366
395 3RK0 AMP 0.00156 0.30348
396 2PJL 047 0.0227 0.3034
397 2HGS GSH 0.03028 0.30319
398 2ZYF AKG 0.001311 0.30317
399 1TH8 ADP 0.01043 0.30312
400 2C2A ADP 0.0138 0.30311
401 2IYG FMN 0.01009 0.30309
402 1K6M AGS 0.02405 0.30304
403 2YCJ C2F 0.01005 0.30297
404 2WA4 069 0.01514 0.30285
405 4UOH ADP 0.001441 0.30273
406 4L1F COS 0.02391 0.3027
407 3WJP ANP 0.03763 0.30158
408 1NHK CMP 0.01582 0.3015
409 4LNL PLG 0.01109 0.30138
410 3D3H M4O 0.02418 0.30125
411 3W54 RNB 0.006065 0.30083
412 2PTZ PAH 0.01633 0.3008
413 4C58 824 0.02343 0.30069
414 3IBH GSH 0.04283 0.30069
415 4BG1 OGA 0.04654 0.30068
416 3WCS MAN 0.003778 0.3006
417 1E5F PLP 0.01699 0.30057
418 4KCT PYR 0.003619 0.30056
419 1F74 NAY 0.0112 0.30046
420 3AIQ HBO 0.03754 0.3004
421 5FIT AP2 0.03815 0.30035
422 4L7I SAM 0.03573 0.30017
423 1E2S CSN 0.01082 0.29994
424 4AIG FLX 0.01177 0.29989
425 3ZLM ANP 0.0247 0.29973
426 1Z42 FMN 0.03157 0.2992
427 3GX0 GDS 0.02931 0.29915
428 3WCS MAN 0.004578 0.29887
429 3UEC ALA 0.0006836 0.29881
430 1NF8 ISC 0.004204 0.29859
431 1VJT NAD 0.04365 0.29857
432 1MOQ GLP 0.006338 0.29854
433 2QCX PF1 0.0003148 0.29842
434 2AQJ TRP 0.02212 0.29837
435 1R5A GTS 0.002829 0.29833
436 4AQL TXC 0.02563 0.29828
437 1MZV AMP 0.007445 0.29803
438 1FDJ 2FP 0.01913 0.29792
439 2J0W ADP 0.03817 0.29786
440 2BR9 ARG 0.01447 0.29768
441 2JBH 5GP 0.00851 0.29763
442 1I1Q TRP 0.01288 0.29759
443 4C1K PEP 0.006421 0.29759
444 3UST FAD 0.02004 0.29756
445 4ARF IP8 0.007987 0.29755
446 4LFL TG6 0.0109 0.29731
447 2ZJ3 G6P 0.005432 0.2973
448 1JK4 CYS 0.018 0.29709
449 1QS0 TDP 0.04264 0.29691
450 3OCZ SRA 0.002806 0.29688
451 5FIV 3TL 0.03907 0.29684
452 3P0F BAU 0.007439 0.29676
453 3RKR NAP 0.01275 0.29675
454 1FMB HYB 0.01536 0.29668
455 3DCM SAM 0.02539 0.29665
456 1N51 01B 0.03523 0.29654
457 4WBD ADP 0.00151 0.29596
458 1XVA SAM 0.03534 0.29574
459 1H9A NAP 0.04941 0.29548
460 1X8X TYR 0.005018 0.29545
461 1GPJ GMC 0.0004072 0.2954
462 2Y7G AAE 0.03051 0.29539
463 3UER BTU 0.02642 0.29538
464 2VAR KDG 0.02642 0.29535
465 2VAR KDF 0.02642 0.29535
466 3DG6 MUC 0.02186 0.29532
467 3MG9 GHP 0.03599 0.29506
468 3T2W BTN 0.01162 0.29503
469 4B7E OGA 0.003728 0.2946
470 3UIE ANP 0.01521 0.2946
471 3HT5 PMP 0.02522 0.29454
472 2F2U M77 0.01655 0.29452
473 2OI2 DP6 0.01901 0.29451
474 4M5P MLA 0.02488 0.29435
475 4AMV F6R 0.004676 0.29399
476 2ZE3 AKG 0.00824 0.29387
477 4G10 GSH 0.01196 0.29369
478 1XIU REA 0.01639 0.29363
479 2Q37 3AL 0.007413 0.29349
480 3ACC 5GP 0.006859 0.29347
481 2ZJF BSU 0.008627 0.2934
482 3EE4 MYR 0.01423 0.29322
483 1U3I GSH 0.005759 0.29321
484 2R42 FPS 0.04288 0.29313
485 1D2S DHT 0.01426 0.29309
486 2Q8M AMP 0.01005 0.29296
487 4DN8 BMA 0.03568 0.29275
488 3LST SAH 0.04472 0.29268
489 3UCJ AZM 0.01684 0.29263
490 1UCN ADP 0.04675 0.29257
491 2Z9V PXM 0.004918 0.2925
492 3FC2 IBI 0.01872 0.29237
493 1AX2 NDG 0.01594 0.29232
494 4F2O QUS 0.009658 0.29228
495 1QDS PGA 0.02864 0.29224
496 2WOR 2AN 0.001118 0.29221
497 2O2C G6Q 0.01054 0.29213
498 2HVW DCP 0.03379 0.29212
499 1F1V DHY 0.02173 0.29208
500 3LM9 ADP 0.003489 0.29201
501 2G36 TRP 0.009419 0.29168
502 4HZO COA 0.01339 0.29157
503 4BCS BTN 0.02951 0.29155
504 2PVQ GSH 0.04943 0.29153
505 2NVK NAP 0.003706 0.29135
506 1A27 EST 0.02118 0.29123
507 2CFU 1DB 0.04182 0.2909
508 2W1A TSA 0.006893 0.29077
509 1Z45 GAL 0.0124 0.29072
510 1MQ0 BRD 0.03092 0.29059
511 1GVF PGH 0.006135 0.2905
512 1V03 BGC 0.01983 0.29048
513 4G28 0W8 0.02165 0.29045
514 4IHQ ADP 0.008787 0.29036
515 3F3E LEU 0.01634 0.29031
516 2QF7 COA 0.01971 0.29027
517 3QP4 HL0 0.0279 0.29026
518 4A6D SAM 0.04372 0.29023
519 1UZN NAP 0.02198 0.29021
520 2PFC PLM 0.001766 0.29011
521 1KTC NGA 0.02692 0.28999
522 1Q11 TYE 0.009234 0.2898
523 3S6T OAN 0.04526 0.28969
524 4E28 0MZ 0.00928 0.28937
525 2UX9 FMN 0.003593 0.2893
526 2YGN PCF 0.04709 0.28903
527 1AUA BOG 0.02216 0.28903
528 4M2K PLP 0.04019 0.28872
529 1GU3 BGC 0.02295 0.28863
530 3C9E BDP 0.002088 0.28839
531 1E4E PHY 0.027 0.28825
532 3O03 GCO 0.03832 0.28784
533 1YFX 4AA 0.006498 0.28774
534 2CE7 ADP 0.04612 0.2877
535 1WDA BAG 0.02215 0.28763
536 2B7N NTM 0.001276 0.28763
537 1Y9Q MED 0.01833 0.28737
538 3PY5 AMP 0.01321 0.28721
539 4JEJ 1GP 0.02412 0.2871
540 1W3R 2MN 0.03876 0.2868
541 2YLD CMO 0.002773 0.28679
542 1V7R CIT 0.0001427 0.28673
543 2VAR AMP 0.0219 0.28644
544 4IXW IXW 0.04819 0.28617
545 1VJO PLP 0.03835 0.28615
546 4CIB 7UZ 0.002496 0.28585
547 2NCD ADP 0.01692 0.28576
548 1UW1 ADP 0.02398 0.28573
549 4AF5 CIT 0.002614 0.28565
550 3QDW NDG 0.0001123 0.28548
551 1ZZ7 S0H 0.01865 0.28547
552 1KGI T4A 0.000614 0.28547
553 3QDY CBS 3.465e-05 0.28537
554 1FBL HTA 0.02576 0.28527
555 2AZ3 CDP 0.02506 0.2852
556 3TFC PEP 0.001547 0.28511
557 2OHV NHL 0.004348 0.28509
558 1ZGA SAH 0.00977 0.28506
559 3VPQ GSH 0.02613 0.28498
560 1VBH PEP 0.01187 0.28492
561 3QDX CBS 0.0001318 0.28483
562 3O2K QRP 0.02251 0.28483
563 1NF8 BOG 0.001597 0.28477
564 3QDV NDG 0.000151 0.28467
565 1ECM TSA 0.03585 0.284
566 2E1A MSE 0.03456 0.28395
567 4GO7 THR 0.006822 0.28389
568 1H2B OCA 0.005525 0.28381
569 1NX4 AKG 0.006612 0.28373
570 1H2M OGA 0.02341 0.28373
571 3GM5 CIT 0.01913 0.28369
572 4NPT 017 0.02578 0.28355
573 3W8S GSH 0.007719 0.28334
574 3P3N AKG 0.02314 0.28329
575 1H2K OGA 0.02594 0.28328
576 4IS0 GDS 0.02121 0.28286
577 4G9P CDI 0.03982 0.28275
578 4USS GSH 0.01436 0.28244
579 1FWE HAE 0.03441 0.28225
580 2C5S AMP 0.01612 0.28221
581 4FGC PQ0 0.009562 0.28219
582 4KSY 1SY 0.03563 0.28212
583 3LM9 FRU 0.009802 0.28207
584 3VKX T3 0.01975 0.28194
585 3D8C AKG 0.01635 0.28187
586 1UAY ADN 0.03843 0.28163
587 3BS8 PMP 0.04487 0.28152
588 3QV9 QV7 0.01068 0.28136
589 3NNF AKG 0.007079 0.28129
590 1Z44 FMN 0.04082 0.28111
591 1Y13 BIO 0.03475 0.28091
592 4C2G ALA 0.005416 0.28087
593 1II5 GLU 0.01519 0.28085
594 4KGM ATP 0.03054 0.28083
595 1A5V Y3 0.03735 0.28078
596 4COQ SAN 0.007658 0.28077
597 1DXY COI 0.003148 0.28052
598 1WHT BZS 0.02176 0.28048
599 1KC7 PPR 0.01326 0.28047
600 2JFV FLC 0.006335 0.28024
601 1B4B ARG 4.016e-05 0.28011
602 3PAK MAN 0.005167 0.27997
603 4ME6 ADP 0.0288 0.27997
604 2AMV BIN 0.01977 0.27976
605 1B5E DCM 0.01765 0.27974
606 1IS3 LAT 0.007811 0.27957
607 1QO0 BMD 0.002988 0.27937
608 1SC3 MLI 0.005151 0.27937
609 3IHB GLU 0.003837 0.27932
610 1R6W 164 0.01681 0.2792
611 3EYK EYK 0.01173 0.27909
612 2BOI MFU 0.01832 0.27907
613 3P7I P7I 0.01935 0.2787
614 4BI7 PGA 0.04293 0.27868
615 3V1U HXC 0.03969 0.27862
616 1QPB PYM 0.03508 0.27856
617 2NZU BG6 0.03623 0.27833
618 2WCV FUC 0.02002 0.27832
619 3WKX FUB 0.02973 0.27832
620 2HW1 FRU 0.003299 0.27815
621 4LHM AZZ 0.01694 0.27809
622 1JGS SAL 0.02557 0.278
623 1Z6K OAA 0.00923 0.27796
624 3VCA PRO 0.004498 0.27792
625 1OGD RIP 0.02521 0.27787
626 1NNS ASP 0.038 0.27784
627 2XUM OGA 0.03871 0.27717
628 4DEC UDP 0.02579 0.27709
629 2VWT PYR 0.01375 0.27682
630 2DWO F6P 0.04827 0.27666
631 1P9B HDA 0.01021 0.27652
632 2Y0I AKG 0.03808 0.27589
633 5CSM TRP 0.0483 0.27577
634 1G8S MET 0.01462 0.2757
635 1VR0 3SL 0.02444 0.27568
636 1M1B SPV 0.02762 0.27519
637 3MCT 3MC 0.02537 0.2751
638 1ULE GLA 0.01526 0.27508
639 4HVK PMP 0.01384 0.27489
640 1GJW GLC 0.005714 0.27488
641 2YIV NBN 0.01153 0.27476
642 1RQH PYR 0.01623 0.27438
643 2NZ2 ASP 0.03028 0.2738
644 2WCI GSH 0.02986 0.27374
645 2IUW AKG 0.04017 0.27293
646 4M5P 23W 0.02424 0.27273
647 1C1L GAL 0.01174 0.27267
648 3L6R MLI 0.009006 0.27265
649 1HK8 DGT 0.003538 0.27256
650 3KT7 AKG 0.01703 0.27216
651 1NH8 AMP 0.004491 0.27184
652 1C7R PA5 0.03967 0.27174
653 3A1I UNU 0.04199 0.27156
654 3ZTV ADN 0.03586 0.27139
655 1RZM PEP 0.02136 0.27126
656 1B74 DGN 0.003511 0.27124
657 4ASL GAL 0.01535 0.2712
658 3SCH TB6 0.009312 0.2711
659 1HQL GLA 0.02168 0.27086
660 4CCO OGA 0.02661 0.27019
661 3QDX A2G 0.02438 0.26942
662 1H16 PYR 0.01306 0.26935
663 1Z44 NPO 0.001896 0.26924
664 3B9Z CO2 0.02282 0.26905
665 1SN0 T44 0.0008836 0.26897
666 2XI7 XI7 0.0004888 0.26897
667 4E28 9MZ 0.04964 0.26851
668 2Q8H TF4 8.432e-05 0.2682
669 2FUE M1P 0.02547 0.26789
670 3R6K FUC 0.03908 0.26785
671 1RYD GLC 0.02826 0.2677
672 2P69 PLP 0.04383 0.26748
673 1NOW IFG 0.03638 0.267
674 3F81 STT 0.007781 0.26685
675 3PMD 11A 0.0242 0.26684
676 4LO6 SIA 0.01921 0.26665
677 9LDT OXM 0.002767 0.26628
678 2F7C CCU 0.01715 0.26602
679 1O9U ADZ 0.0005175 0.26591
680 2R00 OEG 0.03182 0.26541
681 2D5X L35 0.0171 0.26538
682 3IB9 BTN 0.04306 0.26525
683 1R37 ETX 0.04123 0.26522
684 4G0A G 8.612e-06 0.26511
685 1PDZ PGA 0.005515 0.26468
686 2V5E SCR 0.0178 0.2645
687 1RZM E4P 0.003843 0.26408
688 1PEA ACM 0.04033 0.26375
689 2XRH NIO 0.01861 0.26325
690 1WGC SIA 0.006427 0.26322
691 2HVK TBA 0.02454 0.26302
692 2Q3M MLA 0.005345 0.26253
693 1T10 F6P 0.0129 0.26198
694 2DKH 3HB 0.01838 0.26188
695 4A6F SEP 0.01378 0.26124
696 4DEC 3PG 0.003406 0.26117
697 3QDV A2G 0.03425 0.26114
698 4B16 NAG 9.559e-05 0.26069
699 1BTN I3P 0.002038 0.26067
700 3WCS NAG 0.01425 0.26063
701 1FUR MLT 0.002638 0.26054
702 2WGC SIA 0.01376 0.26032
703 3UDG TMP 0.01893 0.26031
704 3F8C HT1 0.0249 0.26003
705 3VPD BUA 0.003325 0.2599
706 3QDY A2G 0.02737 0.25981
707 1JAC AMG 0.01649 0.25925
708 3CL5 SIO 0.006767 0.25911
709 1GPJ CIT 0.01055 0.25908
710 3QDW A2G 0.01693 0.25895
711 3R51 MMA 0.01088 0.25778
712 2QLX RM4 0.01192 0.25687
713 2ASF CIT 0.01465 0.25674
714 4M51 BEZ 0.03641 0.25653
715 3VPD CIT 0.00966 0.25539
716 1YOA FMN 0.004618 0.25414
717 1H0C AOA 0.02951 0.25372
718 2X2T GAL 0.00264 0.25363
719 1QH9 LAC 0.02863 0.25125
720 3GF2 SAL 0.02336 0.25077
721 1JZN BGC 0.0338 0.25063
722 2BZ1 TAU 0.03945 0.25015
723 2YD6 FLC 0.0005701 0.24993
724 4OTS ATP 0.004362 0.2467
725 3KPE TM3 0.008764 0.24666
726 3A0E M3M 0.03812 0.24526
727 3CBG 4FE 0.03899 0.24524
728 4BMB LAT 0.0171 0.2446
729 1UO4 PIH 0.002143 0.24431
730 3UBW 6SP 0.01553 0.24075
731 4J6W CTP 0.03122 0.23993
732 2ZL7 FUC 0.03852 0.23763
733 4K55 H6P 0.03502 0.23221
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