Receptor
PDB id Resolution Class Description Source Keywords
3uh4 2 Å EC: 2.4.2.30 TANKYRASE-1 COMPLEXED WITH NVP-XAV939 HOMO SAPIENS TRANSFERASE TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: STRUCTURE OF HUMAN TANKYRASE 1 IN COMPLEX WITH SMALL-MOLECULE INHIBITORS PJ34 AND XAV939. ACTA CRYSTALLOGR.,SECT.F V. 68 115 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:11;
B:10;
B:9;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
SO4 A:1328;
A:3;
A:5;
A:6;
B:2;
B:7;
B:8;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
XAV A:1;
B:1;
 Valid;
Valid;
 none;
none;
 ic50 = 0.011 uM
312.31 C14 H11 F3 N2 O S c1cc(...
ZN A:2001;
B:2001;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4MSG 1.8 Å EC: 2.4.2.30 CRYSTAL STRUCTURE OF TANKYRASE 1 WITH COMPOUND 22 HOMO SAPIENS TANKYRASE PARP INHIBITOR TRANSFERASE-TRANSFERASE INHIBITO
Ref.: DEVELOPMENT OF NOVEL DUAL BINDERS AS POTENT, SELECT ORALLY BIOAVAILABLE TANKYRASE INHIBITORS. J.MED.CHEM. V. 56 10003 2013
Members (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 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....
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: XAV; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 XAV 1 1
2 P4L 0.507463 0.875
Similar Ligands (3D)
Ligand no: 1; Ligand: XAV; Similar ligands found: 294
No: Ligand Similarity coefficient
1 06R 0.9948
2 29F 0.9935
3 31F 0.9872
4 GN5 0.9813
5 2ZI 0.9809
6 IY5 0.9773
7 1V0 0.9757
8 1UR 0.9746
9 1UT 0.9708
10 O53 0.9705
11 A64 0.9694
12 W2E 0.9640
13 F36 0.9636
14 1UZ 0.9564
15 72H 0.9501
16 08C 0.9495
17 27F 0.9492
18 F08 0.9468
19 JKN 0.9454
20 A63 0.9445
21 ECZ 0.9420
22 91F 0.9418
23 1VG 0.9404
24 97K 0.9404
25 9C8 0.9399
26 1V8 0.9395
27 5WW 0.9359
28 WF4 0.9333
29 5TU 0.9305
30 124 0.9302
31 1UW 0.9288
32 TVZ 0.9286
33 338 0.9230
34 A26 0.9227
35 F1T 0.9208
36 NKI 0.9207
37 3G5 0.9202
38 L43 0.9201
39 1V1 0.9195
40 RGK 0.9192
41 DFL 0.9192
42 0NJ 0.9182
43 7FC 0.9181
44 25F 0.9169
45 SZ5 0.9165
46 A73 0.9159
47 32F 0.9151
48 3F4 0.9147
49 9B2 0.9138
50 97Z 0.9124
51 135 0.9113
52 F33 0.9113
53 GA6 0.9113
54 J45 0.9112
55 BMZ 0.9111
56 E9L 0.9111
57 H2W 0.9109
58 F38 0.9108
59 72G 0.9106
60 M3W 0.9100
61 S1C 0.9096
62 CDJ 0.9095
63 907 0.9092
64 2JP 0.9092
65 2UV 0.9088
66 MRE 0.9087
67 FBC 0.9086
68 PW8 0.9080
69 MR4 0.9073
70 W8L 0.9071
71 20D 0.9070
72 J8D 0.9065
73 6T5 0.9065
74 TFX 0.9060
75 KC8 0.9060
76 BRZ 0.9060
77 7FZ 0.9059
78 3K1 0.9047
79 9AW 0.9046
80 VT3 0.9044
81 G2V 0.9043
82 802 0.9043
83 6QX 0.9040
84 MR5 0.9035
85 Q92 0.9035
86 CR4 0.9030
87 JL7 0.9025
88 MBT 0.9021
89 A05 0.9020
90 WLH 0.9018
91 106 0.9011
92 3Q0 0.9007
93 6JP 0.9006
94 120 0.9004
95 AGI 0.9003
96 TVC 0.8999
97 801 0.8997
98 8E3 0.8994
99 8M5 0.8993
100 DFV 0.8991
101 SNP 0.8987
102 6BK 0.8983
103 55H 0.8983
104 BX4 0.8982
105 IDZ 0.8973
106 122 0.8971
107 0FZ 0.8971
108 M16 0.8967
109 334 0.8967
110 8E6 0.8964
111 LZ7 0.8955
112 LZ3 0.8954
113 041 0.8944
114 AO 0.8938
115 121 0.8931
116 123 0.8930
117 F70 0.8928
118 O9T 0.8925
119 LU2 0.8924
120 J2W 0.8923
121 BO1 0.8922
122 5Z5 0.8920
123 U4J 0.8919
124 NAR 0.8917
125 0S0 0.8915
126 F37 0.8909
127 T5J 0.8902
128 1R5 0.8896
129 EBB 0.8894
130 B7H 0.8890
131 SDN 0.8889
132 1HP 0.8886
133 OSY 0.8885
134 797 0.8880
135 PW5 0.8879
136 5YA 0.8879
137 1SX 0.8878
138 O9Z 0.8877
139 1Q1 0.8876
140 6FX 0.8873
141 A9E 0.8871
142 8EC 0.8870
143 A8D 0.8866
144 136 0.8865
145 3TI 0.8863
146 RNP 0.8863
147 A45 0.8863
148 IW3 0.8861
149 5XM 0.8859
150 J3B 0.8857
151 QDR 0.8857
152 SGW 0.8857
153 E98 0.8851
154 LI7 0.8851
155 NU3 0.8850
156 4ZF 0.8850
157 HCC 0.8848
158 TH1 0.8846
159 LJ1 0.8843
160 245 0.8842
161 697 0.8842
162 E92 0.8841
163 WG8 0.8835
164 HRD 0.8832
165 CWE 0.8826
166 U1T 0.8824
167 BBP 0.8819
168 397 0.8818
169 U55 0.8818
170 CT7 0.8817
171 0DJ 0.8817
172 Z3R 0.8812
173 NVS 0.8809
174 MR6 0.8808
175 196 0.8805
176 U32 0.8802
177 L8N 0.8799
178 NPZ 0.8799
179 X2L 0.8798
180 205 0.8797
181 STL 0.8795
182 7LU 0.8791
183 01I 0.8785
184 AX1 0.8780
185 DX8 0.8777
186 BJ4 0.8776
187 AU6 0.8776
188 4KN 0.8776
189 4ZW 0.8771
190 57U 0.8768
191 6H2 0.8766
192 IMK 0.8764
193 QUE 0.8764
194 S98 0.8760
195 LJ2 0.8756
196 Y27 0.8752
197 LJ5 0.8743
198 AV7 0.8739
199 68C 0.8738
200 S16 0.8737
201 KMP 0.8737
202 E8Z 0.8733
203 9EG 0.8732
204 GEN 0.8726
205 IW5 0.8724
206 2WU 0.8721
207 T21 0.8721
208 BUX 0.8721
209 Q7U 0.8720
210 FSE 0.8715
211 23M 0.8711
212 PNW 0.8711
213 OAQ 0.8710
214 RF2 0.8707
215 62D 0.8706
216 4FC 0.8706
217 3Q1 0.8702
218 J2N 0.8701
219 H50 0.8698
220 MXM 0.8694
221 5ZM 0.8692
222 AV6 0.8685
223 3WL 0.8681
224 BUN 0.8680
225 X8I 0.8678
226 3RL 0.8678
227 IIH 0.8677
228 UAY 0.8676
229 OQR 0.8675
230 HUL 0.8672
231 END 0.8672
232 D64 0.8670
233 LMZ 0.8669
234 2Q0 0.8667
235 SAK 0.8666
236 7GK 0.8665
237 4P9 0.8662
238 DN8 0.8661
239 5EZ 0.8660
240 IPJ 0.8660
241 KWV 0.8658
242 80R 0.8654
243 83D 0.8647
244 C0V 0.8643
245 ZAR 0.8639
246 2OX 0.8639
247 3MI 0.8639
248 F5N 0.8638
249 PIT 0.8637
250 0LA 0.8630
251 LC1 0.8623
252 PIU 0.8622
253 PJK 0.8622
254 F18 0.8620
255 1Q2 0.8620
256 7G2 0.8620
257 U13 0.8616
258 JFS 0.8614
259 LZ4 0.8611
260 DEH 0.8610
261 JTE 0.8605
262 86B 0.8601
263 MRI 0.8599
264 IW4 0.8599
265 3WK 0.8599
266 1CE 0.8599
267 WW3 0.8599
268 147 0.8596
269 ICD 0.8595
270 JTN 0.8594
271 PNG 0.8594
272 4DE 0.8593
273 BRY 0.8592
274 65W 0.8590
275 PNJ 0.8587
276 XZ1 0.8585
277 JMM 0.8584
278 3Q2 0.8584
279 72D 0.8583
280 JTK 0.8582
281 272 0.8577
282 79X 0.8574
283 OSJ 0.8574
284 MYU 0.8573
285 OSD 0.8570
286 ZEA 0.8569
287 5ER 0.8568
288 CWB 0.8567
289 DQH 0.8566
290 F13 0.8565
291 1UA 0.8562
292 517 0.8553
293 A9B 0.8549
294 6P3 0.8524
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4MSG; Ligand: 2C6; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 4msg.bio2) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 3ESS 18N 4.60829
2 6W65 T9D 8.29493
Pocket No.: 2; Query (leader) PDB : 4MSG; Ligand: 2C6; Similar sites found with APoc: 2
This union binding pocket(no: 2) in the query (biounit: 4msg.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 3ESS 18N 4.60829
2 6W65 T9D 8.29493
APoc FAQ
Feedback