Receptor
PDB id Resolution Class Description Source Keywords
4UVL 2 Å EC: 2.4.2.30 CRYSTAL STRUCTURE OF HUMAN TANKYRASE 2 IN COMPLEX WITH 5-AMI DIHYDROISOQUINOLIN-1-ONE HOMO SAPIENS TRANSFERASE PROTEIN-LIGAND COMPLEX DIPHTHERIA TOXIN LIKE FRIBOSYLATION TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: EXPLORATION OF THE NICOTINAMIDE-BINDING SITE OF THE TANKYRASES, IDENTIFYING 3-ARYLISOQUINOLIN-1-ONES AS AND SELECTIVE INHIBITORS IN VITRO. BIOORG.MED.CHEM. V. 23 5891 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PEG A:2166;
C:2166;
 Invalid;
Invalid;
 none;
none;
 submit data
106.12 C4 H10 O3 C(COC...
ZN A:2162;
C:2162;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
SO4 A:2163;
C:2163;
A:2164;
C:2164;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
32X C:2165;
A:2165;
 Valid;
Valid;
 none;
none;
 submit data
160.173 C9 H8 N2 O c1cc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4BUY 1.9 Å EC: 2.4.2.30 CRYSTAL STRUCTURE OF HUMAN TANKYRASE 2 IN COMPLEX WITH 5-MET (4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)PHENYL)IMIDAZOLIDINE-2,4- HOMO SAPIENS TRANSFERASE PROTEIN-LIGAND COMPLEX DIPHTHERIA TOXIN LIKE FRIBOSYLATION TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: PARA-SUBSTITUTED 2-PHENYL-3,4-DIHYDROQUINAZOLIN-4-O POTENT AND SELECTIVE TANKYRASE INHIBITORS. CHEMMEDCHEM V. 8 1978 2013
Members (60)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 4BUV ic50 = 21 nM 16I C19 H13 N3 O2 S c1ccc2c(c1....
2 4BJ9 ic50 = 45 nM UHB C24 H27 N9 O6 c1cc2c(c(c....
3 4BU3 ic50 = 59 nM F40 C14 H10 N2 O c1ccc(cc1)....
4 3P0Q - NNL C14 H14 Cl N5 Cc1cc(c2nn....
5 4UFU ic50 = 10 nM 2ZI C16 H11 F3 N2 O Cc1cccc2c1....
6 4UVX ic50 = 11 nM H2W C15 H9 Cl F N O c1cc2c(c(c....
7 4UFY ic50 = 7 nM M3W C16 H14 N2 O Cc1ccc(cc1....
8 4BJC ic50 = 14 nM RPB C19 H18 F N3 O CNCc1ccc(c....
9 4UVZ - 5NN C15 H12 N2 O c1ccc(cc1)....
10 5AEH ic50 = 0.037 uM 8IR C25 H19 Cl N4 O3 COc1ccc(cc....
11 4UVV ic50 = 32 nM W8L C16 H12 Cl N O Cc1cccc2c1....
12 5OWT - F37 C18 H14 N4 O3 C[C@@]1(C(....
13 4UHG ic50 = 540 nM SZ5 C15 H12 N2 O Cc1ccc(cc1....
14 4UVY ic50 = 5.5 nM SGW C16 H12 Cl N O2 COc1cccc2c....
15 5NUT ic50 = 12 nM 9A8 C17 H16 N2 O2 CC(C)Oc1cc....
16 4BU8 ic50 = 28 nM 27F C15 H9 N3 O c1ccc2c(c1....
17 4UVW ic50 = 19 nM NYJ C17 H15 N O Cc1cccc2c1....
18 5NOB ic50 = 0.0063 uM 92T C24 H17 Cl N8 O c1ccc(c(c1....
19 4BUX ic50 = 34 nM F35 C18 H14 N4 O3 c1ccc2c(c1....
20 4BJB ic50 = 219 nM P34 C17 H17 N3 O2 CN(C)CC(=O....
21 3P0N - BPU C11 H7 Br N2 O c1cc2n(c1)....
22 3U9Y - 09L C24 H23 F N4 O3 c1ccc2c(c1....
23 5AL5 ic50 = 71 nM JL9 C18 H23 N5 O c1cnccc1CN....
24 4BUW ic50 = 15 nM F33 C17 H13 N3 O3 c1ccc2c(c1....
25 4UVT - G1O C10 H10 N2 O CC1=CNC(=O....
26 4BUE ic50 = 71 nM JQF C19 H19 N3 O2 CC(C)CC(=O....
27 5AL4 ic50 = 300 nM WLH C13 H20 N4 O CN1CCN(CC1....
28 4W5I ic50 = 97 nM 3GX C15 H16 N2 O CN1CCCC2=C....
29 4BUD ic50 = 5 nM 29F C18 H18 N2 O CC(C)(C)c1....
30 4BFP - SWY C29 H23 N5 O3 S COc1ccc(cc....
31 4UVU ic50 = 1200 nM U1T C21 H22 N2 O Cc1cccc2c1....
32 5AKW ic50 = 410 nM NKI C14 H11 Cl N2 O c1ccc2c(c1....
33 5AL2 ic50 = 360 nM O53 C16 H17 N3 O CC(C)c1ccc....
34 4BS4 ic50 = 72 nM A64 C18 H16 O2 CC(C)c1ccc....
35 5AL3 ic50 = 11000 nM TGW C14 H11 Cl2 N3 O CN1c2c(ccc....
36 4UVN - CDJ C15 H11 Cl N2 O c1cc2c(c(c....
37 4BUS ic50 = 176 nM 32F C16 H12 N2 O4 c1ccc2c(c1....
38 3KR8 Kd = 8 nM XAV C14 H11 F3 N2 O S c1cc(ccc1c....
39 4M7B ic50 = 200 nM 28C C14 H15 N5 O Cc1cc(c2nn....
40 5AL1 ic50 = 53000 nM GN5 C17 H19 N3 O CC(C)(C)c1....
41 4BUU ic50 = 56 nM F38 C15 H13 N3 O3 S c1ccc2c(c1....
42 4UVS - R4E C14 H18 N2 O CCCCCC1=Cc....
43 4BUY ic50 = 5 nM F37 C18 H14 N4 O3 C[C@@]1(C(....
44 4UVO - 5WW C16 H14 N2 O2 COc1ccc(cc....
45 4BU9 ic50 = 9 nM 08C C15 H12 N2 O2 COc1ccc(cc....
46 5OWS - KC8 C18 H16 N4 O2 C[C@@]1(CN....
47 3P0P - NNF C15 H17 F N4 O CC1=CC(=O)....
48 4BU6 ic50 = 73 nM RGK C14 H11 N3 O c1ccc2c(c1....
49 3MHJ - M3F C14 H9 F3 N2 O Cc1cc(nc2c....
50 4UVL - 32X C9 H8 N2 O c1cc2c(c(c....
51 4BUF ic50 = 38 nM F36 C16 H12 N2 O2 CC(=O)c1cc....
52 5AKU ic50 = 150 nM 29F C18 H18 N2 O CC(C)(C)c1....
53 4BUA ic50 = 35 nM 91F C15 H12 N2 O S CSc1ccc(cc....
54 4BU5 ic50 = 102 nM 3F4 C14 H10 N2 O2 c1ccc2c(c1....
55 4UX4 - E9L C16 H15 N2 O Cc1ccc(cc1....
56 4BU7 ic50 = 11 nM 25F C14 H9 Br N2 O c1ccc2c(c1....
57 3U9H - NCA C6 H6 N2 O c1cc(cnc1)....
58 3UA9 - IWR C25 H19 N3 O3 c1cc2cccnc....
59 4BUT ic50 = 12 nM 31F C14 H11 N3 O3 S c1ccc2c(c1....
60 4BUI ic50 = 23 nM W2E C16 H12 N2 O3 COC(=O)c1c....
70% Homology Family (90)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 6QXU ic50 = 7 nM JKN C17 H14 F2 N2 O2 CC(C)(c1cc....
2 3UDD - 34M C20 H19 N5 O3 S Cc1nnc(n1c....
3 4W6E ic50 < 0.003 uM 3J5 C27 H29 N5 O2 Cc1cc(ncc1....
4 4MSK ic50 = 0.063 uM 2C8 C25 H19 N5 O3 c1ccc(cc1)....
5 4OA7 - 2XS C25 H19 N3 O3 c1cc2cccnc....
6 4K4E - K4E C22 H25 Cl N4 O3 COc1ccc(cc....
7 4N4V ic50 = 0.002 uM 2GY C26 H29 N5 O2 CC1([C@@H]....
8 5ECE ic50 = 9 nM 5N2 C26 H22 N6 O2 c1ccc2c(c1....
9 4TOR - IW8 C25 H28 Br N3 O4 S CCN(c1cccc....
10 3UH4 ic50 = 0.011 uM XAV C14 H11 F3 N2 O S c1cc(ccc1c....
11 4I9I ic50 = 0.008 uM 1DY C25 H22 N4 O4 COc1ccccc1....
12 4DVI - 2IW C26 H21 N3 O3 Cc1ccnc2c1....
13 4LI6 - 1XO C23 H21 N3 O2 S c1ccc(cc1)....
14 4MSG ic50 = 0.1 nM 2C6 C25 H25 N5 O3 S c1ccc(cc1)....
15 3UH2 ic50 = 1 uM P34 C17 H17 N3 O2 CN(C)CC(=O....
16 5EBT - 5N8 C23 H17 F5 N6 O2 C[C@H]1Cn2....
17 4MT9 ic50 = 0.1 nM 2D6 C24 H24 N4 O3 S c1ccc2c(c1....
18 4N4T ic50 = 0.049 uM 2GV C26 H23 N5 O2 CC1([C@@H]....
19 4N3R ic50 = 0.15 uM 2GU C26 H22 F N5 O2 CC1(CC(=O)....
20 4LI7 - 1XP C23 H23 Cl F N3 O3 COc1cc(c(c....
21 4KRS ic50 = 0.299 uM 1SX C15 H18 N4 O S CC(C)(C)c1....
22 4TOS - 355 C33 H33 N5 O4 CC1=CC=CC2....
23 4BUV ic50 = 21 nM 16I C19 H13 N3 O2 S c1ccc2c(c1....
24 4BJ9 ic50 = 45 nM UHB C24 H27 N9 O6 c1cc2c(c(c....
25 4BU3 ic50 = 59 nM F40 C14 H10 N2 O c1ccc(cc1)....
26 3P0Q - NNL C14 H14 Cl N5 Cc1cc(c2nn....
27 4UFU ic50 = 10 nM 2ZI C16 H11 F3 N2 O Cc1cccc2c1....
28 4UVX ic50 = 11 nM H2W C15 H9 Cl F N O c1cc2c(c(c....
29 4UFY ic50 = 7 nM M3W C16 H14 N2 O Cc1ccc(cc1....
30 4BJC ic50 = 14 nM RPB C19 H18 F N3 O CNCc1ccc(c....
31 4UVZ - 5NN C15 H12 N2 O c1ccc(cc1)....
32 5AEH ic50 = 0.037 uM 8IR C25 H19 Cl N4 O3 COc1ccc(cc....
33 4UVV ic50 = 32 nM W8L C16 H12 Cl N O Cc1cccc2c1....
34 5OWT - F37 C18 H14 N4 O3 C[C@@]1(C(....
35 4UHG ic50 = 540 nM SZ5 C15 H12 N2 O Cc1ccc(cc1....
36 4UVY ic50 = 5.5 nM SGW C16 H12 Cl N O2 COc1cccc2c....
37 5NUT ic50 = 12 nM 9A8 C17 H16 N2 O2 CC(C)Oc1cc....
38 4BU8 ic50 = 28 nM 27F C15 H9 N3 O c1ccc2c(c1....
39 4UVW ic50 = 19 nM NYJ C17 H15 N O Cc1cccc2c1....
40 5NOB ic50 = 0.0063 uM 92T C24 H17 Cl N8 O c1ccc(c(c1....
41 4BUX ic50 = 34 nM F35 C18 H14 N4 O3 c1ccc2c(c1....
42 4BJB ic50 = 219 nM P34 C17 H17 N3 O2 CN(C)CC(=O....
43 3P0N - BPU C11 H7 Br N2 O c1cc2n(c1)....
44 3U9Y - 09L C24 H23 F N4 O3 c1ccc2c(c1....
45 5AL5 ic50 = 71 nM JL9 C18 H23 N5 O c1cnccc1CN....
46 4BUW ic50 = 15 nM F33 C17 H13 N3 O3 c1ccc2c(c1....
47 4UVT - G1O C10 H10 N2 O CC1=CNC(=O....
48 4BUE ic50 = 71 nM JQF C19 H19 N3 O2 CC(C)CC(=O....
49 5AL4 ic50 = 300 nM WLH C13 H20 N4 O CN1CCN(CC1....
50 4W5I ic50 = 97 nM 3GX C15 H16 N2 O CN1CCCC2=C....
51 4BUD ic50 = 5 nM 29F C18 H18 N2 O CC(C)(C)c1....
52 4BFP - SWY C29 H23 N5 O3 S COc1ccc(cc....
53 4UVU ic50 = 1200 nM U1T C21 H22 N2 O Cc1cccc2c1....
54 5AKW ic50 = 410 nM NKI C14 H11 Cl N2 O c1ccc2c(c1....
55 5AL2 ic50 = 360 nM O53 C16 H17 N3 O CC(C)c1ccc....
56 4BS4 ic50 = 72 nM A64 C18 H16 O2 CC(C)c1ccc....
57 5AL3 ic50 = 11000 nM TGW C14 H11 Cl2 N3 O CN1c2c(ccc....
58 4UVN - CDJ C15 H11 Cl N2 O c1cc2c(c(c....
59 4BUS ic50 = 176 nM 32F C16 H12 N2 O4 c1ccc2c(c1....
60 3KR8 Kd = 8 nM XAV C14 H11 F3 N2 O S c1cc(ccc1c....
61 4M7B ic50 = 200 nM 28C C14 H15 N5 O Cc1cc(c2nn....
62 5AL1 ic50 = 53000 nM GN5 C17 H19 N3 O CC(C)(C)c1....
63 4BUU ic50 = 56 nM F38 C15 H13 N3 O3 S c1ccc2c(c1....
64 4UVS - R4E C14 H18 N2 O CCCCCC1=Cc....
65 4BUY ic50 = 5 nM F37 C18 H14 N4 O3 C[C@@]1(C(....
66 4UVO - 5WW C16 H14 N2 O2 COc1ccc(cc....
67 4BU9 ic50 = 9 nM 08C C15 H12 N2 O2 COc1ccc(cc....
68 5OWS - KC8 C18 H16 N4 O2 C[C@@]1(CN....
69 3P0P - NNF C15 H17 F N4 O CC1=CC(=O)....
70 4BU6 ic50 = 73 nM RGK C14 H11 N3 O c1ccc2c(c1....
71 3MHJ - M3F C14 H9 F3 N2 O Cc1cc(nc2c....
72 4UVL - 32X C9 H8 N2 O c1cc2c(c(c....
73 4BUF ic50 = 38 nM F36 C16 H12 N2 O2 CC(=O)c1cc....
74 5AKU ic50 = 150 nM 29F C18 H18 N2 O CC(C)(C)c1....
75 4BUA ic50 = 35 nM 91F C15 H12 N2 O S CSc1ccc(cc....
76 4BU5 ic50 = 102 nM 3F4 C14 H10 N2 O2 c1ccc2c(c1....
77 4UX4 - E9L C16 H15 N2 O Cc1ccc(cc1....
78 4BU7 ic50 = 11 nM 25F C14 H9 Br N2 O c1ccc2c(c1....
79 3U9H - NCA C6 H6 N2 O c1cc(cnc1)....
80 3UA9 - IWR C25 H19 N3 O3 c1cc2cccnc....
81 4BUT ic50 = 12 nM 31F C14 H11 N3 O3 S c1ccc2c(c1....
82 4BUI ic50 = 23 nM W2E C16 H12 N2 O3 COC(=O)c1c....
83 4J1Z - 495 C8 H5 Cl N2 O c1ccc2c(c1....
84 4J22 Kd = 0.018 uM AJ7 C23 H24 Cl N3 O3 CC1=CC(=O)....
85 4J3L Kd = 0.016 uM AJ5 C20 H19 Cl N2 O3 CC1=CC(=O)....
86 3MHK - P4L C12 H11 N3 O S c1ccnc(c1)....
87 4J3M ic50 = 0.021 uM AJ8 C17 H12 Cl N O3 CC1=CC(=O)....
88 4IUE Kd = 0.28 uM AJ4 C16 H12 F N O CC1=CC(=O)....
89 4J21 Kd = 0.039 uM AJ6 C16 H13 Cl N2 O CC1=CC(=O)....
90 3W51 ic50 = 12 uM AJ2 C10 H9 N O Cc1cc(nc2c....
50% Homology Family (97)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 6QXU ic50 = 7 nM JKN C17 H14 F2 N2 O2 CC(C)(c1cc....
2 3UDD - 34M C20 H19 N5 O3 S Cc1nnc(n1c....
3 4W6E ic50 < 0.003 uM 3J5 C27 H29 N5 O2 Cc1cc(ncc1....
4 4MSK ic50 = 0.063 uM 2C8 C25 H19 N5 O3 c1ccc(cc1)....
5 4OA7 - 2XS C25 H19 N3 O3 c1cc2cccnc....
6 4K4E - K4E C22 H25 Cl N4 O3 COc1ccc(cc....
7 4N4V ic50 = 0.002 uM 2GY C26 H29 N5 O2 CC1([C@@H]....
8 5ECE ic50 = 9 nM 5N2 C26 H22 N6 O2 c1ccc2c(c1....
9 4TOR - IW8 C25 H28 Br N3 O4 S CCN(c1cccc....
10 3UH4 ic50 = 0.011 uM XAV C14 H11 F3 N2 O S c1cc(ccc1c....
11 4I9I ic50 = 0.008 uM 1DY C25 H22 N4 O4 COc1ccccc1....
12 4DVI - 2IW C26 H21 N3 O3 Cc1ccnc2c1....
13 4LI6 - 1XO C23 H21 N3 O2 S c1ccc(cc1)....
14 4MSG ic50 = 0.1 nM 2C6 C25 H25 N5 O3 S c1ccc(cc1)....
15 3UH2 ic50 = 1 uM P34 C17 H17 N3 O2 CN(C)CC(=O....
16 5EBT - 5N8 C23 H17 F5 N6 O2 C[C@H]1Cn2....
17 4MT9 ic50 = 0.1 nM 2D6 C24 H24 N4 O3 S c1ccc2c(c1....
18 4N4T ic50 = 0.049 uM 2GV C26 H23 N5 O2 CC1([C@@H]....
19 4N3R ic50 = 0.15 uM 2GU C26 H22 F N5 O2 CC1(CC(=O)....
20 4LI7 - 1XP C23 H23 Cl F N3 O3 COc1cc(c(c....
21 4KRS ic50 = 0.299 uM 1SX C15 H18 N4 O S CC(C)(C)c1....
22 4TOS - 355 C33 H33 N5 O4 CC1=CC=CC2....
23 4BUV ic50 = 21 nM 16I C19 H13 N3 O2 S c1ccc2c(c1....
24 4BJ9 ic50 = 45 nM UHB C24 H27 N9 O6 c1cc2c(c(c....
25 4BU3 ic50 = 59 nM F40 C14 H10 N2 O c1ccc(cc1)....
26 3P0Q - NNL C14 H14 Cl N5 Cc1cc(c2nn....
27 4UFU ic50 = 10 nM 2ZI C16 H11 F3 N2 O Cc1cccc2c1....
28 4UVX ic50 = 11 nM H2W C15 H9 Cl F N O c1cc2c(c(c....
29 4UFY ic50 = 7 nM M3W C16 H14 N2 O Cc1ccc(cc1....
30 4BJC ic50 = 14 nM RPB C19 H18 F N3 O CNCc1ccc(c....
31 4UVZ - 5NN C15 H12 N2 O c1ccc(cc1)....
32 5AEH ic50 = 0.037 uM 8IR C25 H19 Cl N4 O3 COc1ccc(cc....
33 4UVV ic50 = 32 nM W8L C16 H12 Cl N O Cc1cccc2c1....
34 5OWT - F37 C18 H14 N4 O3 C[C@@]1(C(....
35 4UHG ic50 = 540 nM SZ5 C15 H12 N2 O Cc1ccc(cc1....
36 4UVY ic50 = 5.5 nM SGW C16 H12 Cl N O2 COc1cccc2c....
37 5NUT ic50 = 12 nM 9A8 C17 H16 N2 O2 CC(C)Oc1cc....
38 4BU8 ic50 = 28 nM 27F C15 H9 N3 O c1ccc2c(c1....
39 4UVW ic50 = 19 nM NYJ C17 H15 N O Cc1cccc2c1....
40 5NOB ic50 = 0.0063 uM 92T C24 H17 Cl N8 O c1ccc(c(c1....
41 4BUX ic50 = 34 nM F35 C18 H14 N4 O3 c1ccc2c(c1....
42 4BJB ic50 = 219 nM P34 C17 H17 N3 O2 CN(C)CC(=O....
43 3P0N - BPU C11 H7 Br N2 O c1cc2n(c1)....
44 3U9Y - 09L C24 H23 F N4 O3 c1ccc2c(c1....
45 5AL5 ic50 = 71 nM JL9 C18 H23 N5 O c1cnccc1CN....
46 4BUW ic50 = 15 nM F33 C17 H13 N3 O3 c1ccc2c(c1....
47 4UVT - G1O C10 H10 N2 O CC1=CNC(=O....
48 4BUE ic50 = 71 nM JQF C19 H19 N3 O2 CC(C)CC(=O....
49 5AL4 ic50 = 300 nM WLH C13 H20 N4 O CN1CCN(CC1....
50 4W5I ic50 = 97 nM 3GX C15 H16 N2 O CN1CCCC2=C....
51 4BUD ic50 = 5 nM 29F C18 H18 N2 O CC(C)(C)c1....
52 4BFP - SWY C29 H23 N5 O3 S COc1ccc(cc....
53 4UVU ic50 = 1200 nM U1T C21 H22 N2 O Cc1cccc2c1....
54 5AKW ic50 = 410 nM NKI C14 H11 Cl N2 O c1ccc2c(c1....
55 5AL2 ic50 = 360 nM O53 C16 H17 N3 O CC(C)c1ccc....
56 4BS4 ic50 = 72 nM A64 C18 H16 O2 CC(C)c1ccc....
57 5AL3 ic50 = 11000 nM TGW C14 H11 Cl2 N3 O CN1c2c(ccc....
58 4UVN - CDJ C15 H11 Cl N2 O c1cc2c(c(c....
59 4BUS ic50 = 176 nM 32F C16 H12 N2 O4 c1ccc2c(c1....
60 3KR8 Kd = 8 nM XAV C14 H11 F3 N2 O S c1cc(ccc1c....
61 4M7B ic50 = 200 nM 28C C14 H15 N5 O Cc1cc(c2nn....
62 5AL1 ic50 = 53000 nM GN5 C17 H19 N3 O CC(C)(C)c1....
63 4BUU ic50 = 56 nM F38 C15 H13 N3 O3 S c1ccc2c(c1....
64 4UVS - R4E C14 H18 N2 O CCCCCC1=Cc....
65 4BUY ic50 = 5 nM F37 C18 H14 N4 O3 C[C@@]1(C(....
66 4UVO - 5WW C16 H14 N2 O2 COc1ccc(cc....
67 4BU9 ic50 = 9 nM 08C C15 H12 N2 O2 COc1ccc(cc....
68 5OWS - KC8 C18 H16 N4 O2 C[C@@]1(CN....
69 3P0P - NNF C15 H17 F N4 O CC1=CC(=O)....
70 4BU6 ic50 = 73 nM RGK C14 H11 N3 O c1ccc2c(c1....
71 3MHJ - M3F C14 H9 F3 N2 O Cc1cc(nc2c....
72 4UVL - 32X C9 H8 N2 O c1cc2c(c(c....
73 4BUF ic50 = 38 nM F36 C16 H12 N2 O2 CC(=O)c1cc....
74 5AKU ic50 = 150 nM 29F C18 H18 N2 O CC(C)(C)c1....
75 4BUA ic50 = 35 nM 91F C15 H12 N2 O S CSc1ccc(cc....
76 4BU5 ic50 = 102 nM 3F4 C14 H10 N2 O2 c1ccc2c(c1....
77 4UX4 - E9L C16 H15 N2 O Cc1ccc(cc1....
78 4BU7 ic50 = 11 nM 25F C14 H9 Br N2 O c1ccc2c(c1....
79 3U9H - NCA C6 H6 N2 O c1cc(cnc1)....
80 3UA9 - IWR C25 H19 N3 O3 c1cc2cccnc....
81 4BUT ic50 = 12 nM 31F C14 H11 N3 O3 S c1ccc2c(c1....
82 4BUI ic50 = 23 nM W2E C16 H12 N2 O3 COC(=O)c1c....
83 3SE2 - LDR C13 H9 N O c1ccc2c(c1....
84 6FYM - EBB C15 H14 N4 O S Cc1ccc2c(c....
85 5V7T ic50 = 610 nM 91V C27 H32 N6 O c1ccc(cc1)....
86 3SMJ - FDR C10 H10 N2 O S CC1=Nc2c(c....
87 4F1L - 0RY C11 H10 N2 O4 c1cc(cc(c1....
88 4J1Z - 495 C8 H5 Cl N2 O c1ccc2c(c1....
89 4J22 Kd = 0.018 uM AJ7 C23 H24 Cl N3 O3 CC1=CC(=O)....
90 4J3L Kd = 0.016 uM AJ5 C20 H19 Cl N2 O3 CC1=CC(=O)....
91 3MHK - P4L C12 H11 N3 O S c1ccnc(c1)....
92 4J3M ic50 = 0.021 uM AJ8 C17 H12 Cl N O3 CC1=CC(=O)....
93 4IUE Kd = 0.28 uM AJ4 C16 H12 F N O CC1=CC(=O)....
94 4J21 Kd = 0.039 uM AJ6 C16 H13 Cl N2 O CC1=CC(=O)....
95 3W51 ic50 = 12 uM AJ2 C10 H9 N O Cc1cc(nc2c....
96 6EK3 - OUL C14 H12 N2 O3 c1cc(ccc1C....
97 4F0E - 0RU C14 H12 N4 O S Cc1cccc2c1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 32X; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 32X 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 32X; Similar ligands found: 940
No: Ligand Similarity coefficient
1 DHQ 0.9928
2 3WA 0.9789
3 JUG 0.9785
4 24W 0.9774
5 AJV 0.9753
6 G1O 0.9750
7 1LQ 0.9744
8 1NP 0.9741
9 ADZ 0.9737
10 5Q0 0.9733
11 B60 0.9731
12 1SQ 0.9731
13 O72 0.9726
14 MAQ 0.9724
15 HQY 0.9723
16 JBQ 0.9721
17 4YS 0.9719
18 ES1 0.9716
19 1LM 0.9714
20 JPZ 0.9712
21 5SG 0.9709
22 5IQ 0.9707
23 7B4 0.9701
24 3HA 0.9694
25 N5J 0.9693
26 JBH 0.9688
27 JBK 0.9675
28 DBH 0.9672
29 3F0 0.9672
30 HH8 0.9666
31 3M0 0.9664
32 4XH 0.9658
33 FE DB1 0.9650
34 SVN 0.9637
35 25W 0.9633
36 GLC 0.9615
37 ISE 0.9615
38 R8V 0.9609
39 0P6 0.9602
40 M0W 0.9601
41 ISN 0.9599
42 BGC 0.9598
43 8CM 0.9584
44 KKN 0.9573
45 KUF 0.9568
46 PE0 0.9567
47 6M9 0.9566
48 PXL 0.9566
49 M1H 0.9565
50 3IT 0.9564
51 TOF 0.9553
52 G6D 0.9550
53 AZ8 0.9544
54 5WV 0.9542
55 QUZ 0.9542
56 UNC 0.9541
57 12Q 0.9540
58 ES7 0.9539
59 9MG 0.9538
60 9EW 0.9537
61 HLZ 0.9534
62 KJH 0.9530
63 F05 0.9529
64 CWS 0.9527
65 7W4 0.9527
66 MUA 0.9527
67 5WX 0.9526
68 NPY 0.9525
69 HLR 0.9523
70 PYQ 0.9520
71 HHA 0.9520
72 HQT 0.9516
73 G3F 0.9515
74 Q24 0.9512
75 FDB 0.9511
76 SAL 0.9509
77 1XN 0.9506
78 7HQ 0.9504
79 AQO 0.9504
80 SKA 0.9497
81 NDM 0.9497
82 ZVO 0.9497
83 5QX 0.9496
84 DIN 0.9495
85 FOT 0.9493
86 0RW 0.9493
87 AZ9 0.9493
88 3PF 0.9492
89 EQT 0.9491
90 7B3 0.9489
91 MEW 0.9483
92 8S0 0.9483
93 6M4 0.9481
94 A7W 0.9480
95 6F0 0.9474
96 I3A 0.9473
97 7VS 0.9471
98 GRE 0.9470
99 F5B 0.9469
100 BHO 0.9469
101 IJZ 0.9467
102 M5K 0.9467
103 BDP 0.9467
104 HQD 0.9463
105 G5V 0.9462
106 XXR 0.9460
107 2ZV 0.9459
108 M0Q 0.9458
109 JXN 0.9455
110 7W1 0.9455
111 DPZ 0.9455
112 1WG 0.9454
113 G3E 0.9453
114 AJ2 0.9447
115 4HC 0.9447
116 E7Z 0.9444
117 3Z8 0.9444
118 39A 0.9441
119 COU 0.9439
120 MRW 0.9438
121 KT7 0.9437
122 3U4 0.9437
123 CFF 0.9436
124 HJP 0.9436
125 JBE 0.9435
126 LT2 0.9430
127 0N7 0.9429
128 5RG 0.9427
129 KJY 0.9424
130 BE2 0.9422
131 TTL 0.9422
132 6M1 0.9420
133 4AA 0.9419
134 MT0 0.9418
135 INS 0.9416
136 2EC 0.9411
137 5QY 0.9409
138 SE2 0.9408
139 BTE 0.9406
140 AZA 0.9403
141 495 0.9399
142 1P7 0.9397
143 3ID 0.9394
144 150 0.9391
145 2CK 0.9389
146 4SV 0.9388
147 B62 0.9387
148 XQ0 0.9387
149 C2U 0.9385
150 HZQ 0.9384
151 2CQ 0.9384
152 GUN 0.9384
153 DBJ 0.9380
154 M6N 0.9378
155 TEP 0.9378
156 OCH 0.9378
157 03V 0.9375
158 SWD 0.9373
159 B57 0.9368
160 M1Q 0.9368
161 J9W 0.9367
162 1WD 0.9367
163 2AQ 0.9366
164 JKE 0.9365
165 86J 0.9365
166 XAN 0.9362
167 GTQ 0.9360
168 5RO 0.9359
169 5M0 0.9358
170 9DG 0.9357
171 7VJ 0.9356
172 HPA 0.9356
173 DMD 0.9355
174 IGA 0.9353
175 XHP 0.9350
176 2D0 0.9350
177 5NE 0.9348
178 JB5 0.9348
179 GOG 0.9347
180 BEA 0.9347
181 ADE 0.9347
182 D48 0.9347
183 44W 0.9345
184 DQN 0.9345
185 0FO 0.9344
186 0W8 0.9344
187 7WV 0.9344
188 PQ0 0.9344
189 ES6 0.9343
190 Q88 0.9341
191 DIU 0.9340
192 EXO 0.9339
193 EA1 0.9336
194 J5I 0.9335
195 1KP 0.9335
196 DRL 0.9335
197 6MP 0.9334
198 RAM 0.9332
199 ES5 0.9330
200 2AK 0.9329
201 HFB 0.9328
202 DQU 0.9326
203 XYP 0.9324
204 GAL 0.9323
205 54G 0.9321
206 37T 0.9320
207 SYV 0.9319
208 BP1 0.9318
209 4FS 0.9317
210 6CS 0.9317
211 Q7A 0.9315
212 GYE 0.9314
213 M1A 0.9313
214 9DA 0.9309
215 5B1 0.9308
216 APZ 0.9305
217 PFB 0.9305
218 141 0.9302
219 9HX 0.9297
220 B53 0.9297
221 GCS 0.9294
222 7WA 0.9294
223 K5W 0.9294
224 45C 0.9293
225 BBF 0.9293
226 4Z4 0.9292
227 9KT 0.9289
228 LZM 0.9287
229 NOJ 0.9285
230 12B 0.9285
231 67N 0.9284
232 2HQ 0.9283
233 ES0 0.9283
234 H42 0.9283
235 CFP 0.9282
236 PCI 0.9282
237 10L 0.9282
238 4CS 0.9281
239 A2F 0.9280
240 CTS 0.9280
241 OTW 0.9275
242 6AP 0.9275
243 PRF 0.9274
244 D07 0.9273
245 N8Y 0.9273
246 6ME 0.9270
247 CWM 0.9268
248 YSO 0.9268
249 8GC 0.9268
250 92K 0.9264
251 F4Z 0.9263
252 5NU 0.9263
253 290 0.9262
254 LSA 0.9262
255 MO8 0.9260
256 2ZQ 0.9258
257 7HP 0.9257
258 9TZ 0.9257
259 NTZ 0.9253
260 Q6T 0.9252
261 7ZE 0.9252
262 QWN 0.9252
263 FA0 0.9250
264 44V 0.9250
265 GAB 0.9250
266 M1E 0.9249
267 A29 0.9247
268 DOB 0.9247
269 LGC 0.9244
270 LXC 0.9244
271 GXY 0.9243
272 5MK 0.9241
273 23A 0.9240
274 AHR 0.9239
275 TC7 0.9239
276 BHA 0.9239
277 680 0.9237
278 AZG 0.9236
279 NQ 0.9235
280 18N 0.9233
281 42C 0.9231
282 3FH 0.9230
283 BCF 0.9228
284 5CU 0.9226
285 PM6 0.9226
286 ES4 0.9226
287 RXA 0.9226
288 UAN 0.9226
289 7NI 0.9225
290 I1N 0.9223
291 1PT 0.9223
292 MVN 0.9222
293 5WY 0.9222
294 SWA 0.9220
295 BZX 0.9219
296 4M0 0.9219
297 BOA 0.9218
298 DX4 0.9215
299 42A 0.9215
300 3NT 0.9215
301 URC 0.9212
302 TTY 0.9211
303 CLZ 0.9211
304 ORO 0.9207
305 YH7 0.9205
306 3HB 0.9205
307 SX1 0.9204
308 QBK 0.9204
309 RM1 0.9204
310 IBF 0.9202
311 5H1 0.9201
312 NDH 0.9200
313 VK3 0.9200
314 LI6 0.9198
315 JAE 0.9196
316 2FQ 0.9196
317 5RN 0.9196
318 AKH 0.9194
319 1DW 0.9193
320 FBT 0.9190
321 6AI 0.9189
322 1XM 0.9189
323 3DO 0.9186
324 14O 0.9184
325 6GU 0.9184
326 4MU 0.9180
327 UEG 0.9180
328 226 0.9179
329 CTL 0.9178
330 1U6 0.9177
331 OXC 0.9175
332 PHH 0.9175
333 4NC 0.9173
334 JXW 0.9172
335 MWP 0.9169
336 F60 0.9167
337 173 0.9167
338 F3B 0.9163
339 SXS 0.9160
340 5MB 0.9159
341 QX4 0.9159
342 M2K 0.9159
343 OVV 0.9158
344 FLV 0.9155
345 LKA 0.9154
346 SOE 0.9154
347 5CL 0.9148
348 F0J 0.9147
349 ADK 0.9146
350 5HN 0.9146
351 5OB 0.9146
352 3AB 0.9145
353 ICO 0.9145
354 L3Q 0.9143
355 SRO 0.9142
356 X05 0.9140
357 4JQ 0.9140
358 TH7 0.9139
359 53C 0.9139
360 BTY 0.9138
361 4JT 0.9138
362 0TR 0.9135
363 MQN 0.9135
364 5MI 0.9130
365 VNL 0.9128
366 2K4 0.9125
367 DEN 0.9125
368 3MA 0.9124
369 Q77 0.9121
370 SJ5 0.9121
371 NID 0.9120
372 6VD 0.9118
373 ABV 0.9116
374 IDM 0.9115
375 8TX 0.9114
376 B55 0.9113
377 QXW 0.9110
378 WOO 0.9110
379 JU2 0.9108
380 HKD 0.9107
381 39O 0.9106
382 XYS 0.9105
383 7CZ 0.9105
384 HH5 0.9105
385 INE 0.9104
386 BCP 0.9104
387 ALL 0.9104
388 DOR 0.9103
389 GCU 0.9102
390 PHT 0.9099
391 0CU 0.9096
392 X8D 0.9094
393 YCP 0.9092
394 75K 0.9091
395 RPQ 0.9091
396 HNQ 0.9090
397 ASO 0.9089
398 82I 0.9088
399 IND 0.9088
400 3DM 0.9087
401 KJU 0.9087
402 BK9 0.9085
403 KBG 0.9081
404 SHG 0.9080
405 TBS 0.9080
406 NTM 0.9079
407 IV2 0.9078
408 J9T 0.9076
409 0TU 0.9075
410 NMJ 0.9073
411 PH2 0.9070
412 BEZ 0.9070
413 3RK 0.9069
414 BZI 0.9069
415 ES9 0.9068
416 4YO 0.9068
417 WCE 0.9068
418 HHR 0.9065
419 XAZ 0.9064
420 FYU 0.9064
421 8IG 0.9062
422 11S 0.9062
423 X09 0.9060
424 V55 0.9060
425 4JP 0.9058
426 6PC 0.9058
427 BRT 0.9057
428 F81 0.9055
429 MVL 0.9054
430 EJZ 0.9052
431 BZF 0.9052
432 OA3 0.9052
433 NBZ 0.9052
434 NCA 0.9050
435 KLW 0.9050
436 3BZ 0.9050
437 0CT 0.9049
438 RSF 0.9049
439 FBV 0.9048
440 5JQ 0.9044
441 AW5 0.9043
442 JG8 0.9042
443 MPI 0.9041
444 EYK 0.9041
445 7ME 0.9039
446 QX2 0.9038
447 NK 0.9038
448 BEN 0.9038
449 MYJ 0.9034
450 AX7 0.9033
451 KIB 0.9032
452 KIA 0.9032
453 XM0 0.9032
454 AJY 0.9031
455 GIO 0.9031
456 GVH 0.9030
457 PXM 0.9027
458 270 0.9026
459 BZ3 0.9026
460 GM7 0.9024
461 0R1 0.9024
462 FUL 0.9024
463 LZ1 0.9023
464 G12 0.9022
465 HMH 0.9021
466 XX2 0.9020
467 QWW 0.9020
468 DNF 0.9020
469 VNJ 0.9020
470 4M4 0.9019
471 8XQ 0.9019
472 INO 0.9018
473 EVA 0.9018
474 ASC 0.9017
475 GIM 0.9017
476 AEZ 0.9016
477 GDE 0.9016
478 NNO 0.9016
479 XQG 0.9016
480 DHB 0.9015
481 GCB 0.9015
482 P9P 0.9014
483 H4N 0.9013
484 2H5 0.9013
485 SKM 0.9011
486 0JD 0.9010
487 9FL 0.9010
488 5XC 0.9009
489 FHB 0.9009
490 FK1 0.9005
491 5JL 0.9004
492 2HO 0.9004
493 BAM 0.9002
494 DBX 0.9001
495 P3K 0.9001
496 HIS 0.8999
497 FBB 0.8998
498 GBD 0.8998
499 H33 0.8997
500 NIO 0.8996
501 4A3 0.8995
502 209 0.8995
503 DIE 0.8995
504 8H8 0.8992
505 JXZ 0.8992
506 JFD 0.8991
507 KYD 0.8990
508 K17 0.8989
509 93K 0.8989
510 06B 0.8988
511 MS9 0.8986
512 329 0.8986
513 KFH 0.8986
514 5GU 0.8986
515 SOR 0.8983
516 ZYR 0.8982
517 ARB 0.8982
518 GOX 0.8981
519 PZA 0.8977
520 GJS 0.8977
521 UNU 0.8975
522 RMN 0.8974
523 ROI 0.8974
524 2LY 0.8974
525 2MI 0.8972
526 24B 0.8972
527 6BL 0.8971
528 I6G 0.8971
529 5NS 0.8970
530 GCW 0.8970
531 3HM 0.8969
532 DFB 0.8969
533 HMU 0.8967
534 MZB 0.8966
535 3MG 0.8964
536 20J 0.8964
537 P92 0.8964
538 FUC 0.8963
539 BMA 0.8962
540 EKZ 0.8962
541 2KA 0.8958
542 FDR 0.8958
543 DHK 0.8956
544 M58 0.8956
545 VGL 0.8954
546 UFO 0.8954
547 4AN 0.8949
548 3Z7 0.8949
549 SYA 0.8946
550 4ME 0.8946
551 GZ8 0.8944
552 BSP 0.8943
553 3SK 0.8943
554 9TW 0.8942
555 6RQ 0.8940
556 URF 0.8940
557 SS1 0.8939
558 MWM 0.8937
559 PEY 0.8937
560 KBB 0.8936
561 MT5 0.8936
562 MCT 0.8936
563 Q71 0.8936
564 QAS 0.8935
565 43M 0.8935
566 15E 0.8933
567 NTN 0.8931
568 JZ9 0.8930
569 8WT 0.8930
570 1P3 0.8928
571 HTP 0.8927
572 JLZ 0.8925
573 9R5 0.8924
574 4TU 0.8924
575 K2T 0.8924
576 3OC 0.8923
577 CN0 0.8923
578 SHA 0.8923
579 1IT 0.8920
580 TDR 0.8920
581 QAT 0.8918
582 DX3 0.8917
583 9CA 0.8916
584 92P 0.8915
585 4ZE 0.8915
586 8OZ 0.8914
587 8NY 0.8912
588 8WO 0.8911
589 4ZC 0.8911
590 ET2 0.8911
591 OXQ 0.8910
592 GAG 0.8908
593 7MU 0.8908
594 IFL 0.8908
595 2MP 0.8907
596 HXX 0.8907
597 WBU 0.8906
598 0XT 0.8905
599 CHB 0.8905
600 JND 0.8904
601 3MB 0.8904
602 LZ2 0.8903
603 1MC 0.8903
604 TGX 0.8902
605 ISZ 0.8902
606 JZ3 0.8900
607 G2F 0.8900
608 2A9 0.8900
609 TH0 0.8899
610 JYB 0.8897
611 XBZ 0.8897
612 34A 0.8897
613 AZF 0.8896
614 QPR 0.8894
615 5MH 0.8894
616 C2Y 0.8893
617 PBC 0.8892
618 AC0 0.8890
619 L99 0.8887
620 36R 0.8887
621 HA7 0.8886
622 275 0.8884
623 60P 0.8884
624 ICP 0.8883
625 PYD 0.8883
626 3GQ 0.8883
627 GTR 0.8880
628 2AC 0.8879
629 XYD 0.8879
630 2FY 0.8878
631 FBW 0.8878
632 CLW 0.8876
633 MR1 0.8875
634 B5D 0.8875
635 1P8 0.8875
636 D1X 0.8873
637 APS 0.8873
638 PX7 0.8872
639 DMJ 0.8872
640 51R 0.8872
641 QSC 0.8872
642 VGD 0.8872
643 NIZ 0.8871
644 IT2 0.8871
645 N2I 0.8870
646 4JO 0.8870
647 ES2 0.8867
648 NPO 0.8866
649 0FN 0.8865
650 UQ 0.8862
651 PYG 0.8862
652 NSP 0.8862
653 PQK 0.8862
654 OW4 0.8861
655 CFI 0.8861
656 RM4 0.8860
657 MAN 0.8860
658 K6X 0.8859
659 SRT 0.8859
660 4JJ 0.8859
661 IHB 0.8857
662 GCV 0.8857
663 2AL 0.8855
664 A13 0.8855
665 FB1 0.8852
666 QSH 0.8851
667 IFM 0.8851
668 JIF 0.8850
669 5WU 0.8849
670 QOS 0.8849
671 A1U 0.8849
672 GZL 0.8848
673 F31 0.8847
674 T6C 0.8847
675 XCZ 0.8846
676 28N 0.8846
677 PZI 0.8845
678 23J 0.8844
679 TIY 0.8843
680 5UC 0.8842
681 KGK 0.8841
682 OVM 0.8840
683 EUG 0.8839
684 YQA 0.8839
685 4HO 0.8836
686 XXP 0.8835
687 F12 0.8834
688 ZZT 0.8834
689 PHB 0.8834
690 3XX 0.8831
691 IPB 0.8830
692 2YU 0.8830
693 ARP 0.8828
694 BPU 0.8827
695 FSW 0.8826
696 TM7 0.8825
697 LNR 0.8825
698 0MK 0.8824
699 HT4 0.8822
700 5VM 0.8822
701 MFB 0.8821
702 FCA 0.8820
703 4VS 0.8820
704 IFP 0.8820
705 OAA 0.8819
706 PBA 0.8817
707 FBG 0.8817
708 FGZ 0.8815
709 VOH 0.8815
710 MBD 0.8815
711 JA8 0.8813
712 NOY 0.8813
713 FCB 0.8812
714 4HM 0.8811
715 GOO 0.8807
716 QSB 0.8806
717 GMN 0.8806
718 APG 0.8805
719 3R6 0.8804
720 PRZ 0.8804
721 L7T 0.8801
722 2MN 0.8800
723 RIP 0.8800
724 FLM 0.8799
725 GTZ 0.8799
726 0FK 0.8797
727 GLA 0.8797
728 M5N 0.8796
729 4CL 0.8795
730 JZ2 0.8794
731 97T 0.8794
732 0LH 0.8793
733 ODO 0.8793
734 RNS 0.8790
735 HX3 0.8790
736 ZZ8 0.8790
737 IUR 0.8789
738 MZG 0.8788
739 GLT 0.8787
740 091 0.8787
741 8ZE 0.8786
742 NVU 0.8786
743 FP1 0.8785
744 TLD 0.8785
745 0R0 0.8785
746 069 0.8784
747 TSS 0.8784
748 AFR 0.8783
749 BNT 0.8783
750 3MC 0.8782
751 OXZ 0.8781
752 4XR 0.8781
753 Z5P 0.8780
754 8HC 0.8780
755 35C 0.8780
756 LCN 0.8775
757 J9Q 0.8773
758 GAF 0.8772
759 5JC 0.8772
760 KDV 0.8770
761 4RU 0.8768
762 PBR 0.8768
763 286 0.8767
764 PAB 0.8760
765 948 0.8760
766 FFP 0.8760
767 X0V 0.8758
768 DUB 0.8758
769 J1Z 0.8756
770 ZWZ 0.8756
771 R9Y 0.8755
772 7MH 0.8755
773 4P5 0.8754
774 FBM 0.8753
775 SVD 0.8750
776 R8A 0.8748
777 3FA 0.8747
778 MT8 0.8747
779 FBU 0.8745
780 4KL 0.8745
781 0HO 0.8743
782 HBD 0.8742
783 HY3 0.8742
784 PBZ 0.8740
785 GJP 0.8739
786 2BG 0.8736
787 MWJ 0.8733
788 3NY 0.8732
789 PHE 0.8732
790 8W9 0.8729
791 Z82 0.8729
792 HQJ 0.8729
793 2C9 0.8728
794 OVP 0.8727
795 27Y 0.8726
796 ZZZ 0.8723
797 6KX 0.8723
798 F1A 0.8723
799 TWO 0.8722
800 TT4 0.8722
801 DFU 0.8722
802 O2A 0.8721
803 IDH 0.8719
804 9RW 0.8719
805 TM4 0.8718
806 1Y6 0.8718
807 MHK 0.8718
808 EN1 0.8718
809 D3M 0.8716
810 ARA 0.8716
811 0HN 0.8715
812 7WR 0.8715
813 826 0.8713
814 2MY 0.8712
815 FPK 0.8712
816 ADA 0.8711
817 ABE 0.8710
818 1HN 0.8707
819 F9Y 0.8706
820 K8X 0.8705
821 BR9 0.8704
822 DGJ 0.8704
823 PA1 0.8702
824 BCU 0.8702
825 3CE 0.8700
826 F9P 0.8698
827 94W 0.8696
828 3C1 0.8696
829 0F9 0.8695
830 149 0.8695
831 2FG 0.8692
832 6MH 0.8691
833 MMA 0.8690
834 FUF 0.8690
835 RHU 0.8688
836 P72 0.8687
837 MBG 0.8687
838 LDR 0.8685
839 4SX 0.8684
840 4MA 0.8682
841 2CM 0.8681
842 6NT 0.8681
843 YIO 0.8680
844 GSY 0.8677
845 3MH 0.8675
846 YTB 0.8674
847 LDP 0.8674
848 4FH 0.8674
849 2ZM 0.8674
850 DEE 0.8672
851 45L 0.8671
852 15N 0.8670
853 9PY 0.8670
854 8GK 0.8669
855 KOJ 0.8668
856 95Z 0.8668
857 AC6 0.8668
858 BDF 0.8666
859 H62 0.8661
860 XYL 0.8660
861 FAN 0.8658
862 6LW 0.8657
863 3A9 0.8655
864 A65 0.8654
865 FB2 0.8654
866 PDC 0.8650
867 K32 0.8650
868 XIY 0.8649
869 AMG 0.8648
870 K22 0.8643
871 174 0.8640
872 W81 0.8639
873 MNM 0.8638
874 2HU 0.8638
875 L5V 0.8637
876 E3D 0.8634
877 9AP 0.8633
878 3C2 0.8632
879 UFV 0.8631
880 GXL 0.8631
881 1M2 0.8631
882 K34 0.8631
883 261 0.8630
884 MFU 0.8629
885 260 0.8628
886 ABI 0.8625
887 G4D 0.8625
888 1F1 0.8624
889 Y8I 0.8622
890 GT0 0.8622
891 R8S 0.8621
892 TAR 0.8620
893 DNC 0.8619
894 RIB 0.8617
895 E1T 0.8615
896 X0W 0.8613
897 NCT 0.8610
898 JTH 0.8608
899 1GN 0.8608
900 X6X 0.8606
901 6NI 0.8605
902 M3S 0.8605
903 GLF 0.8604
904 64C 0.8604
905 ZB1 0.8603
906 14J 0.8602
907 OXE 0.8602
908 S76 0.8600
909 KYA 0.8598
910 XDE 0.8594
911 IP0 0.8591
912 5NI 0.8590
913 CAQ 0.8584
914 FUD 0.8580
915 PHU 0.8578
916 1X7 0.8578
917 FDK 0.8578
918 VXX 0.8572
919 BZJ 0.8571
920 FH2 0.8571
921 MJ2 0.8566
922 JAW 0.8565
923 NEQ 0.8564
924 LYL 0.8562
925 MSN 0.8559
926 HA5 0.8559
927 C9E 0.8550
928 JKZ 0.8545
929 4WL 0.8544
930 AA 0.8543
931 94N 0.8543
932 3QV 0.8542
933 265 0.8538
934 2CH 0.8534
935 2AF 0.8525
936 ANF 0.8523
937 HHS 0.8522
938 C21 0.8513
939 JZ1 0.8510
940 6HQ 0.8508
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4BUY; Ligand: F37; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 4buy.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 6W65 T9D 7.5
Pocket No.: 2; Query (leader) PDB : 4BUY; Ligand: F37; Similar sites found with APoc: 2
This union binding pocket(no: 2) in the query (biounit: 4buy.bio2) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 1XK9 P34 None
2 6W65 T9D 7.5
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