Receptor
PDB id Resolution Class Description Source Keywords
4iue 2.38 Å EC: 2.4.2.30 TANKYRASE IN COMPLEX WITH 7-(2-FLUOROPHENYL)-4-METHYL-1,2- DIHYDROQUINOLIN-2-ONE HOMO SAPIENS RIBOSYLATIONS TRANSFERASE
Ref.: FRAGMENT-BASED LIGAND DESIGN OF NOVEL POTENT INHIBI TANKYRASES. J.MED.CHEM. V. 56 4497 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AJ4 A:1204;
 Valid;
 none;
 Kd = 0.28 uM
253.271 C16 H12 F N O CC1=C...
SO4 A:1203;
A:1202;
 Invalid;
Invalid;
 none;
none;
 submit data
96.063 O4 S [O-]S...
ZN A:1201;
 Part of Protein;
 none;
 submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4J3L 2.09 Å EC: 2.4.2.30 TANKYRASE 2 IN COMPLEX WITH 3-CHLORO-N-(2-METHOXYETHYL)-4-(4 OXO-1,2-DIHYDROQUINOLIN-7-YL)BENZAMIDE HOMO SAPIENS RIBOSYLATION TRANSFERASE
Ref.: FRAGMENT-BASED LIGAND DESIGN OF NOVEL POTENT INHIBI TANKYRASES. J.MED.CHEM. V. 56 4497 2013
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 4J1Z - 495 C8 H5 Cl N2 O c1ccc2c(c1....
2 4J22 Kd = 0.018 uM AJ7 C23 H24 Cl N3 O3 CC1=CC(=O)....
3 4J3L Kd = 0.016 uM AJ5 C20 H19 Cl N2 O3 CC1=CC(=O)....
4 3MHK - P4L C12 H11 N3 O S c1ccnc(c1)....
5 4J3M ic50 = 0.021 uM AJ8 C17 H12 Cl N O3 CC1=CC(=O)....
6 4IUE Kd = 0.28 uM AJ4 C16 H12 F N O CC1=CC(=O)....
7 4J21 Kd = 0.039 uM AJ6 C16 H13 Cl N2 O CC1=CC(=O)....
8 3W51 ic50 = 12 uM AJ2 C10 H9 N O Cc1cc(nc2c....
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: AJ4; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 AJ4 1 1
2 AJ6 0.515152 0.846154
3 AJ8 0.485714 0.785714
Similar Ligands (3D)
Ligand no: 1; Ligand: AJ4; Similar ligands found: 432
No: Ligand Similarity coefficient
1 Q11 0.9695
2 57D 0.9591
3 4L2 0.9589
4 AGI 0.9580
5 3JC 0.9576
6 CC6 0.9496
7 7EH 0.9432
8 NAR 0.9432
9 LU2 0.9423
10 MRI 0.9408
11 3WL 0.9387
12 O9Q 0.9372
13 O9Z 0.9361
14 O9T 0.9358
15 9CE 0.9358
16 KMP 0.9331
17 KW7 0.9326
18 OUA 0.9320
19 B4L 0.9307
20 OSY 0.9306
21 CWE 0.9300
22 DDC 0.9292
23 QUE 0.9264
24 7LU 0.9251
25 1FL 0.9245
26 7L4 0.9234
27 6BK 0.9230
28 0DF 0.9223
29 KXN 0.9222
30 9JT 0.9222
31 H32 0.9221
32 XYP XYP 0.9219
33 2QU 0.9217
34 7G2 0.9214
35 LVY 0.9207
36 0X2 0.9202
37 SAK 0.9197
38 OUG 0.9196
39 DX7 0.9193
40 20D 0.9185
41 NU3 0.9174
42 5B2 0.9168
43 E6Q 0.9166
44 DH2 0.9164
45 MYC 0.9162
46 1HP 0.9160
47 5E5 0.9155
48 ZRK 0.9155
49 DFV 0.9154
50 LI4 0.9154
51 CBE 0.9152
52 FY8 0.9144
53 40N 0.9143
54 6TJ 0.9143
55 L3L 0.9142
56 PIQ 0.9138
57 WCU 0.9137
58 15Q 0.9134
59 DQH 0.9126
60 5C1 0.9124
61 DZ2 0.9123
62 HWB 0.9123
63 1V1 0.9123
64 6DQ 0.9121
65 M23 0.9117
66 Y70 0.9117
67 1Q4 0.9115
68 0OK 0.9115
69 2QV 0.9114
70 LJ5 0.9113
71 LR2 0.9113
72 A73 0.9113
73 XYP XDN 0.9111
74 XDN XYP 0.9110
75 DZ1 0.9110
76 6DE 0.9101
77 7ZO 0.9099
78 7VF 0.9099
79 XIL 0.9093
80 XDL XYP 0.9092
81 P4L 0.9092
82 L2K 0.9089
83 F40 0.9089
84 22M 0.9088
85 5NN 0.9085
86 51Y 0.9081
87 6B5 0.9080
88 XYS XYS 0.9078
89 P2L 0.9077
90 8KW 0.9076
91 FHI 0.9074
92 0SY 0.9073
93 2P3 0.9067
94 XYP XIM 0.9065
95 XYS XYP 0.9052
96 5WK 0.9050
97 6ZW 0.9048
98 FYR 0.9048
99 3GX 0.9045
100 4CN 0.9042
101 3F4 0.9040
102 RGK 0.9034
103 2JX 0.9031
104 47V 0.9031
105 27M 0.9027
106 ZRL 0.9025
107 3CA 0.9025
108 J8G 0.9022
109 SZ5 0.9018
110 CTE 0.9017
111 CDY 0.9017
112 J84 0.9017
113 3DE 0.9016
114 F4U 0.9015
115 6EL 0.9015
116 KWB 0.9015
117 DFL 0.9011
118 XYP XIF 0.9010
119 XIF XYP 0.9010
120 J8D 0.9010
121 22T 0.9009
122 EV2 0.9006
123 EF2 0.9006
124 XYS AZI XYS 0.9002
125 OA4 0.9002
126 TRP 0.8999
127 H7S 0.8996
128 Q4G 0.8995
129 CMG 0.8994
130 M16 0.8993
131 TVC 0.8993
132 H35 0.8992
133 EMU 0.8992
134 GEN 0.8983
135 DSQ 0.8982
136 83D 0.8978
137 121 0.8975
138 7FZ 0.8971
139 NWD 0.8970
140 8CC 0.8969
141 3WN 0.8968
142 3WO 0.8968
143 DBE 0.8966
144 3WJ 0.8965
145 2L2 0.8963
146 6JM 0.8963
147 H75 0.8962
148 5AD 0.8962
149 RSV 0.8961
150 6JO 0.8961
151 W8L 0.8956
152 IW1 0.8955
153 25F 0.8954
154 GNG 0.8953
155 AX1 0.8949
156 JNW 0.8947
157 C4E 0.8946
158 G2V 0.8946
159 0ON 0.8945
160 YE6 0.8945
161 BBY 0.8945
162 ADN 0.8943
163 68B 0.8939
164 5P3 0.8937
165 RE2 0.8936
166 NIY 0.8935
167 697 0.8932
168 5S9 0.8930
169 4YF 0.8928
170 D64 0.8926
171 KF5 0.8925
172 BXZ 0.8924
173 4YE 0.8921
174 CL9 0.8917
175 NYJ 0.8915
176 6QT 0.8913
177 2FA 0.8913
178 6XC 0.8913
179 IRH 0.8912
180 OT4 0.8907
181 NKI 0.8906
182 28A 0.8904
183 4K2 0.8902
184 1SF 0.8902
185 BZC 0.8902
186 D25 0.8899
187 KLV 0.8898
188 8M5 0.8897
189 EES 0.8896
190 3QI 0.8895
191 FBC 0.8889
192 PCQ 0.8888
193 CU8 0.8888
194 QME 0.8883
195 96Z 0.8883
196 GJG 0.8880
197 X0T 0.8879
198 553 0.8876
199 H4B 0.8875
200 28B 0.8873
201 AVX 0.8873
202 TH1 0.8872
203 PQM 0.8872
204 6H2 0.8871
205 205 0.8868
206 TGW 0.8868
207 SNJ 0.8866
208 Q92 0.8866
209 MR4 0.8866
210 5FD 0.8864
211 5ZM 0.8864
212 MUX 0.8863
213 47X 0.8863
214 FCW 0.8862
215 DBS 0.8859
216 G30 0.8857
217 Q12 0.8857
218 C4F 0.8850
219 3WK 0.8850
220 NAL 0.8850
221 EAT 0.8850
222 5DE 0.8849
223 GPK 0.8848
224 Q2S 0.8846
225 4GU 0.8845
226 5CD 0.8841
227 STL 0.8841
228 CJZ 0.8837
229 U4J 0.8834
230 JOB 0.8831
231 LI7 0.8829
232 MIL 0.8829
233 5I5 0.8820
234 FX5 0.8816
235 3AK 0.8816
236 S1D 0.8813
237 MQS 0.8812
238 WDW 0.8812
239 JCZ 0.8808
240 26C 0.8803
241 LJ1 0.8802
242 AP6 0.8802
243 7G0 0.8802
244 MI2 0.8800
245 LJ4 0.8800
246 EZB 0.8800
247 CC5 0.8799
248 Q9T 0.8798
249 4AU 0.8797
250 LWS 0.8797
251 5TU 0.8794
252 JRE 0.8791
253 JZ8 0.8791
254 FL8 0.8789
255 J38 0.8789
256 LJ2 0.8787
257 GMP 0.8786
258 B2L 0.8784
259 IMK 0.8782
260 H2B 0.8782
261 108 0.8782
262 IEE 0.8781
263 4NR 0.8781
264 IQQ 0.8780
265 ARJ 0.8779
266 NOC 0.8779
267 8WB 0.8776
268 Q0K 0.8774
269 6WU 0.8774
270 ISX 0.8774
271 KLE 0.8774
272 L5D 0.8771
273 KP2 0.8770
274 7XX 0.8768
275 EI1 0.8768
276 AUE 0.8766
277 TI7 0.8765
278 4AB 0.8764
279 2OX 0.8762
280 AZY 0.8762
281 3D1 0.8761
282 WVV 0.8761
283 PFT 0.8761
284 TJM 0.8760
285 D59 0.8760
286 4EU 0.8759
287 92O 0.8757
288 4RV 0.8757
289 AUY 0.8756
290 AUG 0.8756
291 53X 0.8755
292 DT7 0.8753
293 BHS 0.8752
294 IW4 0.8751
295 5NB 0.8749
296 PQS 0.8749
297 MR6 0.8749
298 NE2 0.8749
299 IQW 0.8749
300 XEV 0.8746
301 AUV 0.8746
302 JSX 0.8743
303 JFS 0.8742
304 VBC 0.8740
305 5N5 0.8738
306 L1T 0.8737
307 5VU 0.8735
308 K48 0.8733
309 PZX 0.8732
310 5WS 0.8731
311 CJB 0.8729
312 FT6 0.8729
313 HBI 0.8728
314 4FF 0.8727
315 IW2 0.8726
316 97K 0.8723
317 KS5 0.8723
318 BIE 0.8719
319 GQZ 0.8712
320 NQ7 0.8710
321 6P3 0.8710
322 MR5 0.8709
323 4F8 0.8709
324 MG7 0.8708
325 1ER 0.8708
326 AD3 0.8708
327 SIJ 0.8706
328 2L1 0.8705
329 SJR 0.8703
330 NE1 0.8701
331 XI7 0.8701
332 789 0.8700
333 6MD 0.8699
334 LOX XYP 0.8695
335 G14 0.8695
336 TVZ 0.8694
337 5F8 0.8693
338 I0D 0.8692
339 Q8G 0.8692
340 X8E 0.8690
341 4YC 0.8690
342 PIT 0.8689
343 5FL 0.8688
344 NZ4 0.8687
345 BL7 0.8684
346 RVE 0.8682
347 AVA 0.8682
348 9FH 0.8681
349 RFZ 0.8681
350 BVB 0.8679
351 MQR 0.8677
352 IMH 0.8676
353 4KN 0.8676
354 A9B 0.8676
355 JVD 0.8676
356 7M5 0.8675
357 39Z 0.8673
358 5XM 0.8672
359 42R 0.8671
360 BGC BGC 0.8671
361 A4D 0.8671
362 7A9 0.8671
363 5F1 0.8669
364 3D8 0.8665
365 DS8 0.8665
366 LFQ 0.8664
367 6J3 0.8664
368 64I 0.8663
369 ZTW 0.8661
370 QC1 0.8657
371 3RP 0.8655
372 8UY 0.8653
373 5R9 0.8653
374 0DJ 0.8652
375 Q8D 0.8650
376 68C 0.8647
377 3TI 0.8647
378 LOT 0.8646
379 4AJ 0.8645
380 Y3J 0.8644
381 SOV 0.8643
382 JO8 0.8642
383 TCW 0.8640
384 AFX 0.8639
385 FHV 0.8639
386 VXM 0.8637
387 YE7 0.8636
388 YZ9 0.8636
389 VJJ 0.8635
390 2GE 0.8633
391 JE7 0.8633
392 FER 0.8632
393 NOS 0.8628
394 MHD GAL 0.8627
395 ZW2 0.8626
396 H50 0.8624
397 3BH 0.8621
398 KUP 0.8620
399 1FE 0.8619
400 RDT 0.8619
401 7M2 0.8619
402 KOM 0.8617
403 EXX 0.8617
404 3IP 0.8607
405 21E 0.8605
406 CX5 0.8603
407 KYN 0.8602
408 3AD 0.8601
409 XDH 0.8601
410 QKU 0.8598
411 IIH 0.8588
412 AHR AHR 0.8581
413 2GQ 0.8581
414 EAJ 0.8575
415 1DA 0.8571
416 JTK 0.8569
417 LJ3 0.8564
418 15I 0.8561
419 WST 0.8561
420 5OR 0.8560
421 T98 0.8553
422 WA2 0.8551
423 ZAR 0.8548
424 RDV 0.8542
425 GUS 0.8541
426 BK2 0.8540
427 AV4 0.8530
428 72E 0.8527
429 EQW 0.8525
430 PRH 0.8524
431 BP7 0.8516
432 Q5M 0.8515
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4J3L; Ligand: AJ5; 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: 4j3l.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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