Receptor
PDB id Resolution Class Description Source Keywords
3MHK 2.3 Å EC: 2.4.2.30 HUMAN TANKYRASE 2 - CATALYTIC PARP DOMAIN IN COMPLEX WITH 2- PYRIDYL)-7,8-DIHYDRO-5H-THIINO[4,3-D]PYRIMIDIN-4-OL HOMO SAPIENS CATALYTIC FRAGMENT PARP STRUCTURAL GENOMICS STRUCTURAL GECONSORTIUM SGC ADP-RIBOSYLATION ANK REPEAT CHROMOSOMAL GLYCOSYLTRANSFERASE GOLGI APPARATUS MEMBRANE MRNA TRANSPNUCLEUS PHOSPHORYLATION PROTEIN TRANSPORT TELOMERE TRANTRANSLOCATION TRANSPORT WNT-SIGNALLING
Ref.: FAMILY-WIDE CHEMICAL PROFILING AND STRUCTURAL ANALY PARP AND TANKYRASE INHIBITORS NAT.BIOTECHNOL. V. 30 283 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:3;
A:4;
A:5;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
P4L A:2;
Valid;
none;
submit data
245.3 C12 H11 N3 O S c1ccn...
ZN A:1;
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: P4L; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 P4L 1 1
2 XAV 0.507463 0.875
Similar Ligands (3D)
Ligand no: 1; Ligand: P4L; Similar ligands found: 871
No: Ligand Similarity coefficient
1 F40 0.9964
2 7L4 0.9737
3 RGK 0.9716
4 3GX 0.9715
5 25F 0.9714
6 1V4 0.9713
7 1V1 0.9706
8 5NN 0.9705
9 6DQ 0.9701
10 1V3 0.9698
11 DFL 0.9695
12 20D 0.9693
13 DXK 0.9673
14 WLH 0.9663
15 9CE 0.9653
16 NKI 0.9652
17 3F4 0.9650
18 A73 0.9613
19 SZ5 0.9608
20 2GQ 0.9594
21 DDC 0.9576
22 5P3 0.9554
23 M3W 0.9550
24 VT3 0.9548
25 NYJ 0.9528
26 9JT 0.9508
27 CDJ 0.9507
28 W8L 0.9507
29 H2W 0.9507
30 6QT 0.9492
31 57D 0.9487
32 PIQ 0.9477
33 C4E 0.9468
34 LL1 0.9466
35 0UL 0.9456
36 5F8 0.9439
37 3JC 0.9430
38 AVX 0.9428
39 E9L 0.9421
40 IQZ 0.9412
41 LR2 0.9393
42 NIF 0.9392
43 0DF 0.9391
44 5B2 0.9390
45 5V7 0.9388
46 5E5 0.9385
47 1Q4 0.9381
48 RVE 0.9373
49 3D8 0.9369
50 5FL 0.9364
51 AGI 0.9361
52 3WL 0.9360
53 5TZ 0.9352
54 HH6 0.9348
55 91F 0.9344
56 Q0K 0.9340
57 YE7 0.9338
58 VM1 0.9328
59 II4 0.9319
60 IDZ 0.9319
61 KWB 0.9316
62 DFV 0.9316
63 3AK 0.9311
64 4GU 0.9307
65 0SY 0.9307
66 78Y 0.9306
67 NAR 0.9304
68 LWS 0.9303
69 0LO 0.9303
70 JCZ 0.9302
71 4FF 0.9298
72 2QU 0.9296
73 363 0.9287
74 A6W 0.9286
75 0OK 0.9285
76 O9T 0.9283
77 LI7 0.9283
78 2JX 0.9282
79 833 0.9282
80 27F 0.9281
81 2D2 0.9280
82 C0W 0.9278
83 6JO 0.9276
84 FYR 0.9274
85 KF5 0.9272
86 Q4G 0.9265
87 AP6 0.9263
88 EV2 0.9263
89 TCR 0.9263
90 A63 0.9263
91 TRP 0.9262
92 08C 0.9261
93 7EH 0.9259
94 1UZ 0.9259
95 UAY 0.9257
96 IOP 0.9254
97 3WK 0.9252
98 1HP 0.9249
99 BJ4 0.9248
100 LU2 0.9247
101 2QV 0.9246
102 272 0.9244
103 X2M 0.9241
104 3WO 0.9240
105 3WN 0.9240
106 6BK 0.9236
107 WVV 0.9228
108 2P3 0.9224
109 EWG 0.9222
110 4AU 0.9221
111 ZRK 0.9219
112 LIG 0.9218
113 LJ3 0.9218
114 O9Z 0.9218
115 KP2 0.9215
116 O9Q 0.9211
117 ZRL 0.9209
118 3SU 0.9207
119 NRA 0.9206
120 MXD 0.9200
121 XIF XYP 0.9196
122 XYP XIF 0.9196
123 H75 0.9196
124 CX6 0.9196
125 ZSP 0.9194
126 FCW 0.9194
127 4F8 0.9193
128 5VU 0.9190
129 CUH 0.9190
130 4Z9 0.9188
131 P9I 0.9187
132 LEL 0.9185
133 RSV 0.9184
134 1FL 0.9184
135 3DE 0.9184
136 5F5 0.9183
137 CBE 0.9182
138 JSX 0.9181
139 AVA 0.9181
140 7M2 0.9178
141 L3L 0.9175
142 6TJ 0.9173
143 L5D 0.9173
144 BP7 0.9173
145 UN3 0.9169
146 6C8 0.9168
147 RKV 0.9166
148 XCG 0.9162
149 S60 0.9159
150 49P 0.9156
151 22L 0.9156
152 5E1 0.9144
153 AUV 0.9144
154 CHQ 0.9143
155 AJD 0.9141
156 DX2 0.9140
157 V2Z 0.9138
158 BZE 0.9136
159 FHI 0.9134
160 BBY 0.9134
161 EQA 0.9134
162 SGW 0.9133
163 S1D 0.9132
164 KMP 0.9130
165 BGU 0.9129
166 CC6 0.9128
167 PRL 0.9126
168 VBC 0.9124
169 HA6 0.9124
170 IQQ 0.9123
171 1DR 0.9123
172 5WT 0.9116
173 IDD 0.9114
174 8D6 0.9112
175 CWE 0.9109
176 5SJ 0.9108
177 6MW 0.9108
178 6JM 0.9107
179 6XC 0.9105
180 4CN 0.9105
181 MJW 0.9103
182 3Y7 0.9103
183 1AJ 0.9102
184 9FH 0.9102
185 4G2 0.9099
186 CUE 0.9097
187 5WW 0.9097
188 8HH 0.9096
189 OPA 0.9095
190 39Z 0.9095
191 L1T 0.9095
192 AJ4 0.9092
193 0FR 0.9092
194 PUE 0.9092
195 B5A 0.9092
196 X48 0.9090
197 EAT 0.9089
198 S0D 0.9085
199 ZZA 0.9084
200 AKD 0.9083
201 0K7 0.9080
202 F18 0.9079
203 EVO 0.9077
204 8G6 0.9077
205 5S9 0.9072
206 AMR 0.9072
207 M3E 0.9069
208 4Z1 0.9068
209 A9B 0.9067
210 MHB 0.9066
211 7ZL 0.9065
212 3CA 0.9065
213 OTA 0.9064
214 NAL 0.9062
215 92O 0.9061
216 ZAR 0.9058
217 SNJ 0.9055
218 H4B 0.9055
219 5AD 0.9054
220 TMG 0.9054
221 L2K 0.9054
222 OX2 0.9052
223 YE6 0.9050
224 NIR 0.9050
225 M5H 0.9050
226 G14 0.9050
227 4NR 0.9049
228 2GD 0.9047
229 H35 0.9046
230 6FG 0.9046
231 NIY 0.9046
232 4ZF 0.9045
233 47V 0.9044
234 2J1 0.9044
235 2UD 0.9043
236 MMJ 0.9043
237 9BF 0.9042
238 5C1 0.9041
239 M4N 0.9040
240 9UL 0.9040
241 1FE 0.9038
242 LR8 0.9036
243 JFS 0.9033
244 AXX 0.9031
245 A5H 0.9031
246 JMG 0.9031
247 DX7 0.9030
248 K48 0.9027
249 LUM 0.9026
250 5ZM 0.9026
251 NE2 0.9022
252 7LU 0.9020
253 XDN XYP 0.9018
254 U4J 0.9017
255 QME 0.9017
256 NU3 0.9016
257 5ER 0.9015
258 4L2 0.9015
259 6FB 0.9014
260 D64 0.9014
261 IQW 0.9014
262 8CC 0.9013
263 XYP XDN 0.9012
264 1ZC 0.9009
265 6P3 0.9008
266 OA4 0.9007
267 3C3 0.9006
268 EES 0.9006
269 3IL 0.9004
270 XDL XYP 0.9003
271 B4L 0.9003
272 DNQ 0.9002
273 1SF 0.9002
274 XEV 0.9001
275 5WN 0.9001
276 3VQ 0.8998
277 3C5 0.8998
278 JRO 0.8998
279 2LT 0.8998
280 MUR 0.8997
281 YZ9 0.8997
282 HRD 0.8996
283 LVY 0.8996
284 QR2 0.8995
285 3WJ 0.8995
286 GEN 0.8993
287 GNV 0.8993
288 EMU 0.8991
289 B2T 0.8991
290 FER 0.8990
291 HRM 0.8990
292 5I5 0.8990
293 1XS 0.8988
294 5E2 0.8987
295 XIL 0.8986
296 CX4 0.8986
297 Y3L 0.8986
298 1EL 0.8983
299 5WK 0.8983
300 N1E 0.8983
301 1ER 0.8983
302 BQ5 0.8982
303 28A 0.8981
304 96Z 0.8979
305 FT6 0.8979
306 J38 0.8978
307 28B 0.8978
308 CC5 0.8976
309 QUE 0.8975
310 51Y 0.8974
311 IK1 0.8974
312 BIO 0.8972
313 NOC 0.8972
314 CNI 0.8970
315 LP8 0.8969
316 ODK 0.8968
317 C0H 0.8967
318 A7Q 0.8967
319 EQU 0.8967
320 U7E 0.8967
321 B4O 0.8966
322 54X 0.8966
323 7G2 0.8966
324 HBO 0.8966
325 4R1 0.8964
326 22T 0.8964
327 WUB 0.8963
328 COL 0.8963
329 0NX 0.8963
330 2WU 0.8961
331 G6P 0.8960
332 8M5 0.8960
333 DHC 0.8959
334 FY8 0.8958
335 AJG 0.8957
336 6SD 0.8957
337 AOY 0.8954
338 0H5 0.8952
339 LFQ 0.8951
340 S98 0.8949
341 5TO 0.8948
342 DTR 0.8948
343 F5C 0.8947
344 5OR 0.8947
345 PLP 0.8946
346 CZ0 0.8943
347 P4T 0.8943
348 1V8 0.8942
349 JTA 0.8942
350 PQM 0.8941
351 3UG 0.8941
352 ZME 0.8938
353 K80 0.8938
354 XYP XYP 0.8937
355 6J3 0.8935
356 6C5 0.8934
357 FCD 0.8933
358 U19 0.8931
359 GB4 0.8931
360 97K 0.8930
361 3D1 0.8930
362 QIV 0.8929
363 Q5M 0.8929
364 P93 0.8929
365 MFR 0.8928
366 B21 0.8927
367 9OF 0.8926
368 SSY 0.8926
369 BG6 0.8924
370 VC3 0.8923
371 KLE 0.8923
372 344 0.8922
373 40N 0.8922
374 NQ7 0.8922
375 6H2 0.8918
376 6DE 0.8918
377 BRY 0.8916
378 108 0.8916
379 IMK 0.8913
380 WDW 0.8912
381 XYS XYP 0.8912
382 FF2 0.8910
383 96R 0.8909
384 K7H 0.8906
385 RUG 0.8906
386 OLU 0.8906
387 V1T 0.8906
388 FSE 0.8905
389 BPY 0.8903
390 SWX 0.8903
391 5DN 0.8902
392 3RP 0.8899
393 JF8 0.8899
394 CR4 0.8899
395 MR4 0.8897
396 5OO 0.8897
397 SXX 0.8897
398 FQX 0.8896
399 JP2 0.8896
400 WST 0.8896
401 MRI 0.8895
402 DH2 0.8893
403 ZHA 0.8893
404 PQS 0.8893
405 6J9 0.8892
406 120 0.8892
407 4I8 0.8891
408 7G0 0.8891
409 52F 0.8890
410 FHV 0.8889
411 ANC 0.8887
412 M3F 0.8887
413 WV7 0.8886
414 DRG 0.8886
415 R4E 0.8885
416 O53 0.8885
417 D25 0.8884
418 EST 0.8884
419 NW1 0.8884
420 BMZ 0.8881
421 4FC 0.8881
422 78P 0.8880
423 68B 0.8879
424 H2B 0.8877
425 1R5 0.8877
426 GA2 0.8874
427 AUY 0.8873
428 5TY 0.8873
429 JGY 0.8872
430 18E 0.8872
431 TLF 0.8871
432 PCQ 0.8871
433 2GE 0.8870
434 TJM 0.8869
435 SAK 0.8867
436 6C4 0.8865
437 ITE 0.8865
438 55D 0.8865
439 XYS XYS 0.8864
440 38E 0.8860
441 1KN 0.8859
442 THM 0.8859
443 EQW 0.8858
444 IKY 0.8858
445 MBP 0.8857
446 C53 0.8857
447 BXZ 0.8857
448 196 0.8855
449 3VS 0.8854
450 UN9 0.8854
451 5E4 0.8852
452 B7H 0.8850
453 ZEA 0.8850
454 GO2 0.8850
455 6VW 0.8849
456 TH1 0.8849
457 FC2 0.8849
458 B61 0.8848
459 3VX 0.8848
460 JBZ 0.8847
461 6NZ 0.8845
462 B23 0.8845
463 E6Q 0.8844
464 JAH 0.8843
465 HBI 0.8843
466 3ZB 0.8841
467 KYA 0.8840
468 MR5 0.8839
469 SU9 0.8838
470 1UT 0.8837
471 UN4 0.8836
472 27M 0.8836
473 5XL 0.8836
474 XG1 0.8836
475 QC1 0.8836
476 F36 0.8835
477 BA5 0.8834
478 6PB 0.8834
479 WG8 0.8834
480 Q8G 0.8834
481 GNY 0.8833
482 MR6 0.8833
483 A64 0.8833
484 801 0.8832
485 U14 0.8830
486 K25 0.8830
487 BQ2 0.8830
488 GJK 0.8830
489 6QF 0.8830
490 338 0.8829
491 GNG 0.8829
492 1YL 0.8829
493 GNJ 0.8827
494 BHS 0.8827
495 8NX 0.8827
496 L07 0.8826
497 4AB 0.8826
498 EAE 0.8826
499 M78 0.8824
500 GXD 0.8821
501 X6W 0.8821
502 U13 0.8820
503 7FZ 0.8819
504 397 0.8819
505 2PV 0.8815
506 J3Z 0.8815
507 PMP 0.8814
508 QKU 0.8814
509 0SX 0.8814
510 ERZ 0.8814
511 FZM 0.8812
512 KLV 0.8812
513 5TT 0.8811
514 THA 0.8811
515 JF5 0.8811
516 1V0 0.8810
517 2K8 0.8810
518 AQN 0.8810
519 56N 0.8809
520 D1G 0.8809
521 GI3 0.8809
522 Q8D 0.8806
523 VUP 0.8806
524 1BW 0.8805
525 6GP 0.8805
526 5DE 0.8804
527 4K2 0.8804
528 68A 0.8804
529 MKN 0.8804
530 72D 0.8804
531 IQ5 0.8803
532 TR4 0.8803
533 E1K 0.8802
534 JWS 0.8802
535 NAG 0.8801
536 ZIP 0.8801
537 245 0.8801
538 6C9 0.8800
539 X11 0.8799
540 Z21 0.8799
541 DQH 0.8799
542 ZYQ 0.8798
543 878 0.8798
544 WS6 0.8798
545 6ZW 0.8798
546 QZ8 0.8797
547 2FX 0.8797
548 NPL 0.8797
549 CMG 0.8796
550 HWB 0.8796
551 2LW 0.8795
552 2AN 0.8795
553 AZY 0.8794
554 OUA 0.8794
555 4FE 0.8794
556 1QV 0.8794
557 78U 0.8793
558 697 0.8793
559 AV6 0.8792
560 BZQ 0.8792
561 NTF 0.8791
562 7O4 0.8791
563 HKK 0.8790
564 122 0.8790
565 BHF 0.8790
566 LZ5 0.8789
567 7FU 0.8789
568 MEX 0.8787
569 D87 0.8785
570 NDD 0.8783
571 L03 0.8782
572 HHS 0.8780
573 TID 0.8780
574 1A5 0.8780
575 XDK 0.8779
576 K44 0.8779
577 IXM 0.8779
578 HUL 0.8778
579 OCZ 0.8778
580 EE8 0.8778
581 121 0.8777
582 2J2 0.8776
583 G2V 0.8775
584 BUX 0.8775
585 ELH 0.8774
586 GJB 0.8774
587 ASE 0.8772
588 XI7 0.8771
589 9TF 0.8771
590 60L 0.8770
591 4GP 0.8770
592 JGB 0.8769
593 3L1 0.8768
594 WCU 0.8767
595 MYC 0.8767
596 GAT 0.8766
597 NFZ 0.8766
598 BBP 0.8765
599 A5Q 0.8764
600 1UR 0.8764
601 E3X 0.8764
602 6HP 0.8762
603 F4K 0.8760
604 6JP 0.8759
605 1OT 0.8759
606 EAJ 0.8759
607 WS7 0.8759
608 TCC 0.8758
609 36Z 0.8757
610 5WM 0.8757
611 34L 0.8755
612 2PK 0.8755
613 5P7 0.8755
614 6ZE 0.8755
615 N91 0.8754
616 CFK 0.8754
617 5F1 0.8753
618 D1Y 0.8753
619 A05 0.8753
620 CKA 0.8752
621 OAI 0.8752
622 GZV 0.8752
623 8SK 0.8751
624 ID8 0.8751
625 90G 0.8751
626 657 0.8750
627 8V8 0.8748
628 1X8 0.8748
629 IOS 0.8747
630 761 0.8747
631 BVS 0.8746
632 LC1 0.8746
633 GZ2 0.8745
634 HNT 0.8744
635 FNT 0.8743
636 KLS 0.8742
637 M83 0.8742
638 RDV 0.8741
639 KCH 0.8739
640 ALH 0.8739
641 LLT 0.8737
642 D26 0.8735
643 GJG 0.8733
644 4UM 0.8733
645 SNY 0.8733
646 549 0.8733
647 5KN 0.8733
648 QMS 0.8731
649 8NB 0.8731
650 CLI 0.8731
651 492 0.8730
652 D9Z 0.8730
653 5H6 0.8729
654 Q11 0.8728
655 F6P 0.8727
656 JHY 0.8726
657 LFN 0.8725
658 KU1 0.8725
659 D3G 0.8725
660 AJ1 0.8724
661 P7V 0.8724
662 0MB 0.8724
663 LO1 0.8724
664 C82 0.8722
665 NVS 0.8721
666 ESR 0.8720
667 RCV 0.8720
668 DAH 0.8719
669 4KL 0.8719
670 2UZ 0.8719
671 DCF 0.8719
672 5SD 0.8718
673 0X2 0.8717
674 X0T 0.8717
675 30G 0.8716
676 GLP 0.8716
677 6J5 0.8715
678 19E 0.8713
679 F2W 0.8713
680 DNA 0.8712
681 I0G 0.8711
682 W29 0.8711
683 KYN 0.8711
684 4BY 0.8710
685 2JK 0.8710
686 HWH 0.8710
687 JVD 0.8709
688 795 0.8708
689 25O 0.8708
690 UNJ 0.8707
691 TIA 0.8707
692 MD6 0.8707
693 JR2 0.8706
694 62D 0.8706
695 B2E 0.8706
696 R20 0.8704
697 0W1 0.8704
698 X0U 0.8704
699 17M 0.8703
700 ADN 0.8703
701 CK2 0.8703
702 69W 0.8701
703 DHT 0.8699
704 774 0.8698
705 FC3 0.8697
706 7I2 0.8697
707 OUG 0.8695
708 2QC 0.8693
709 OSY 0.8693
710 CR1 0.8693
711 VGS 0.8693
712 XFE 0.8693
713 ECS 0.8692
714 GNR 0.8692
715 OQC 0.8691
716 BGP 0.8690
717 2PW 0.8689
718 692 0.8689
719 IRG 0.8689
720 AH3 0.8688
721 ZEZ 0.8687
722 4BL 0.8685
723 NWD 0.8685
724 WA2 0.8684
725 S62 0.8683
726 9KZ 0.8683
727 5GV 0.8682
728 1EB 0.8682
729 N0Z 0.8682
730 ET0 0.8681
731 DX8 0.8680
732 IMH 0.8680
733 RDM 0.8677
734 NFK 0.8676
735 YEX 0.8674
736 PE2 0.8672
737 X04 0.8671
738 SQM 0.8669
739 IIH 0.8669
740 M4E 0.8669
741 0NJ 0.8668
742 M9N 0.8668
743 RFZ 0.8666
744 90M 0.8666
745 GF4 0.8665
746 C09 0.8663
747 2HC 0.8662
748 BZC 0.8661
749 Q9T 0.8661
750 CH9 0.8660
751 244 0.8659
752 K4T 0.8659
753 BX4 0.8658
754 OSB 0.8658
755 KXN 0.8657
756 2Q0 0.8657
757 RPP 0.8656
758 BPU 0.8656
759 N7I 0.8656
760 L22 0.8656
761 AOX 0.8656
762 CL9 0.8655
763 U12 0.8655
764 CG 0.8654
765 M1Z 0.8652
766 TYP 0.8651
767 PZX 0.8649
768 4HB 0.8647
769 J8D 0.8647
770 5FD 0.8646
771 ESZ 0.8646
772 M6Z 0.8645
773 3Q0 0.8641
774 6EN 0.8640
775 UKV 0.8640
776 6B5 0.8639
777 KMY 0.8637
778 L15 0.8636
779 JTF 0.8636
780 PTS 0.8636
781 YTX 0.8634
782 AQ1 0.8634
783 4QX 0.8633
784 ALE 0.8630
785 CIY 0.8629
786 2UV 0.8628
787 0FS 0.8627
788 4HG 0.8627
789 E9S 0.8627
790 STV 0.8627
791 MQR 0.8627
792 GT1 0.8626
793 TB8 0.8625
794 FX5 0.8625
795 AH6 0.8624
796 MYU 0.8623
797 1A7 0.8623
798 NXB 0.8621
799 M6P 0.8620
800 PH2 0.8619
801 AOI 0.8617
802 BU7 0.8616
803 TVC 0.8613
804 3J8 0.8613
805 JNW 0.8612
806 CFA 0.8611
807 ANF 0.8609
808 0OY 0.8609
809 GVI 0.8607
810 14W 0.8607
811 5M2 0.8606
812 ZJB 0.8602
813 P7Y 0.8602
814 TVZ 0.8598
815 AN3 0.8598
816 HFT 0.8596
817 QUG 0.8596
818 PJK 0.8594
819 P0P 0.8592
820 Q92 0.8591
821 53X 0.8590
822 A6P 0.8590
823 GNM 0.8589
824 CWD 0.8586
825 FWD 0.8586
826 RF2 0.8584
827 4V2 0.8584
828 DK1 0.8583
829 9NB 0.8582
830 5GT 0.8582
831 JY2 0.8582
832 XZ1 0.8581
833 F1X 0.8580
834 9AP 0.8580
835 EZL 0.8579
836 TU0 0.8575
837 STT 0.8574
838 AA 0.8574
839 VFM 0.8572
840 5RP 0.8570
841 JG8 0.8570
842 IS2 0.8570
843 A51 0.8570
844 2LX 0.8568
845 9ZE 0.8566
846 SG2 0.8563
847 SKF 0.8563
848 OA1 0.8562
849 3QV 0.8560
850 5ID 0.8559
851 ONR 0.8557
852 AZN 0.8555
853 KWV 0.8554
854 537 0.8554
855 7QY 0.8554
856 BWD 0.8554
857 G1P 0.8553
858 NDG 0.8551
859 E3U 0.8551
860 AY4 0.8550
861 80G 0.8549
862 8W9 0.8547
863 QBP 0.8546
864 L5V 0.8542
865 WOE 0.8542
866 205 0.8540
867 X8E 0.8532
868 9RM 0.8532
869 MQS 0.8513
870 LZ4 0.8510
871 CPZ 0.8509
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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