Receptor
PDB id Resolution Class Description Source Keywords
4I7R 1.52 Å EC: 3.2.1.17 T4 LYSOZYME L99A/M102H WITH 2-(PYRAZOLO-1-YL) ETHANOL BOUND ENTEROBACTERIA PHAGE T4 HYDROLASE
Ref.: THE IMPACT OF INTRODUCING A HISTIDINE INTO AN APOLA SITE ON DOCKING AND LIGAND RECOGNITION. J.MED.CHEM. V. 56 2874 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:207;
A:206;
B:205;
A:205;
B:204;
A:204;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
HED A:210;
Invalid;
none;
submit data
154.251 C4 H10 O2 S2 C(CSS...
BME B:202;
A:201;
B:207;
B:201;
A:209;
A:202;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
78.133 C2 H6 O S C(CS)...
ACT B:206;
A:208;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
1DU B:203;
A:203;
Valid;
Valid;
none;
none;
submit data
112.13 C5 H8 N2 O c1cnn...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4EKQ 1.54 Å EC: 3.2.1.17 T4 LYSOZYME L99A/M102H WITH 4-NITROPHENOL BOUND ENTEROBACTERIA PHAGE T4 HYDROLASE ALKYLATION OF CYS97
Ref.: ENGINEERING A MODEL PROTEIN CAVITY TO CATALYZE THE ELIMINATION. PROC.NATL.ACAD.SCI.USA V. 109 16179 2012
Members (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 4I7Q - 1DQ C4 H3 F3 N2 c1c([nH]cn....
2 4EKS - 0R1 C7 H5 N O c1ccc2c(c1....
3 4I7M Ka = 13900 M^-1 2LP C9 H10 O C=CCc1cccc....
4 4I7J Kd = 480 uM BNZ C6 H6 c1ccccc1
5 4I7N - 1DJ C9 H8 O C#C[C@H](c....
6 4I7S - 1DV C5 H5 F3 N2 Cc1cc(n[nH....
7 4I7P Ka = 3155 M^-1 ES3 C3 H3 Br N2 c1c(nc[nH]....
8 4EKQ Kd = 2 uM NPO C6 H5 N O3 c1cc(ccc1[....
9 4I7L Kd = 103 uM IPH C6 H6 O c1ccc(cc1)....
10 4EKR - 0R0 C7 H5 N O c1ccc(c(c1....
11 4I7R - 1DU C5 H8 N2 O c1cnn(c1)C....
12 4I7K Kd = 905 uM MBN C7 H8 Cc1ccccc1
13 4I7T - 1DW C7 H5 Br O2 c1cc(c(cc1....
14 4EKP - NBZ C6 H5 N O2 c1ccc(cc1)....
15 4I7O - 1DH C3 H3 Cl N2 S c1c(sc(n1)....
70% Homology Family (109)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 3DN4 Ka = 51800 M^-1 PIH C6 H5 I c1ccc(cc1)....
2 1LI2 Kd = 91 uM IPH C6 H6 O c1ccc(cc1)....
3 3HH3 - B20 C4 H6 B N B1C=CC=CN1
4 4W53 Kd = 102 uM MBN C7 H8 Cc1ccccc1
5 3DMZ - HFB C6 F6 c1(c(c(c(c....
6 2OTZ Kd = 357 uM 1MR C7 H9 N CNc1ccccc1
7 1LI6 Ka = 6300 M^-1 5MP C5 H7 N Cc1cc[nH]c....
8 5G27 - MTN C10 H18 N O3 S2 CC1(C=C(C(....
9 225L - PXY C8 H10 Cc1ccc(cc1....
10 1OV5 - 2LP C9 H10 O C=CCc1cccc....
11 2RBN - 264 C8 H8 N2 c1ccc(cc1)....
12 1OV7 - LYL C10 H12 O Cc1cccc(c1....
13 2OTY Kd = 21 uM YAN C6 H4 Cl2 c1ccc(c(c1....
14 1LGX - 5AN C6 H5 F2 N c1c(cc(cc1....
15 4W54 Kd = 68 uM PYJ C8 H10 CCc1ccccc1
16 1L83 Kd = 0.4 mM BNZ C6 H6 c1ccccc1
17 3HT8 Kd = 0.12 mM JZ2 C7 H7 Cl O Cc1ccc(cc1....
18 3DNA Ka = 40900 M^-1 PIH C6 H5 I c1ccc(cc1)....
19 3HH6 - PYJ C8 H10 CCc1ccccc1
20 2RB1 - 261 C8 H10 O2 CCOc1ccccc....
21 1NHB Ka = 14800 M^-1 PYJ C8 H10 CCc1ccccc1
22 2RAY - 258 C8 H9 Cl O c1ccc(cc1)....
23 3HUA Kd = 0.278 mM JZ9 C8 H11 N c1c[nH]c2c....
24 3DN2 - BBF C6 Br F5 c1(c(c(c(c....
25 2F47 Kd = 148 mM MGX C2 H7 N3 [H]/N=C(/N....
26 2RBO - 265 C4 H3 N O2 S c1cc(sc1)[....
27 3DN0 - F5B C6 H F5 c1c(c(c(c(....
28 185L Kd = 289 uM IND C8 H7 N c1ccc2c(c1....
29 186L Kd = 14 uM N4B C10 H14 CCCCc1cccc....
30 3GUK Ka = 14100 M^-1 MBN C7 H8 Cc1ccccc1
31 5JWV Ka = 14100 M^-1 PYJ C8 H10 CCc1ccccc1
32 4W52 Kd = 175 uM BNZ C6 H6 c1ccccc1
33 1XEP - CAQ C6 H6 O2 c1ccc(c(c1....
34 3HTG - JZ7 C7 H12 O2 CCO[C@@H]1....
35 227L - BNZ C6 H6 c1ccccc1
36 3HU8 Kd = 0.79 mM 261 C8 H10 O2 CCOc1ccccc....
37 3HTF - JZ6 C3 H3 Cl N2 c1c(cn[nH]....
38 2RBP - 266 C5 H12 O S CCCSCCO
39 3HH4 - BNZ C6 H6 c1ccccc1
40 2RAZ - 259 C7 H7 N O2 S CSc1ccc(cc....
41 182L Ka = 8900 M^-1 BZF C8 H6 O c1ccc2c(c1....
42 1OVH - 2CM C7 H8 Cl N Cc1cccc(c1....
43 3HT6 Kd = 0.36 mM JZ0 C7 H8 O Cc1ccccc1O
44 5JWS Ka = 9000 M^-1 6OQ C6 H10 B N B1(C=CC=CN....
45 1L84 - BNZ C6 H6 c1ccccc1
46 3HUQ Kd = 0.25 mM J1Z C6 H4 S2 c1csc2c1sc....
47 3DMX Kd = 58.5 uM BNZ C6 H6 c1ccccc1
48 188L Kd = 469 uM OXE C8 H10 Cc1ccccc1C
49 3DN8 - IBF C6 F5 I c1(c(c(c(c....
50 3HT9 - JZ3 C7 H8 O2 COc1ccccc1....
51 4W57 Kd = 14 uM N4B C10 H14 CCCCc1cccc....
52 5JWT Ka = 18900 M^-1 BNZ C6 H6 c1ccccc1
53 3GUM Ka = 6610 M^-1 PXY C8 H10 Cc1ccc(cc1....
54 181L Ka = 5700 M^-1 BNZ C6 H6 c1ccccc1
55 3DN3 Ka = 3330 M^-1 IBF C6 F5 I c1(c(c(c(c....
56 2RBQ - 263 C8 H9 N3 Cc1cccc(c1....
57 2RB2 - 263 C8 H9 N3 Cc1cccc(c1....
58 3RUN Kd = 3.6 uM MLU OMZ ASN GHP GHP OMY 3FG BGC RER n/a n/a
59 1LI3 Kd = 56 uM 3CH C6 H5 Cl O c1cc(cc(c1....
60 2RBR - 268 C8 H10 O2 c1ccc(cc1)....
61 5JWU Ka = 87700 M^-1 B20 C4 H6 B N B1C=CC=CN1
62 3GUL Ka = 22800 M^-1 PYJ C8 H10 CCc1ccccc1
63 4W58 - 3H2 C11 H16 CCCCCc1ccc....
64 184L Ka = 51000 M^-1 I4B C10 H14 CC(C)Cc1cc....
65 3GUO Ka = 9150 M^-1 IPH C6 H6 O c1ccc(cc1)....
66 3HTD - JZ5 C5 H5 N O S c1cc(sc1)/....
67 3HTB Kd = 73.9 uM JZ4 C9 H12 O CCCc1ccccc....
68 187L Kd = 422 uM PXY C8 H10 Cc1ccc(cc1....
69 1OVJ - FLM C7 H8 F N Cc1c(cccc1....
70 4W55 Kd = 18 uM 3H0 C9 H12 CCCc1ccccc....
71 3GUJ Ka = 37200 M^-1 BNZ C6 H6 c1ccccc1
72 5LWO - RXR C10 H18 N O S2 CC1(C(=C(C....
73 3HU9 - NBE C6 H5 N O c1ccc(cc1)....
74 1LGW Kd = 100 uM 1AN C6 H6 F N c1ccc(c(c1....
75 3DN6 - F3B C6 Cl3 F3 c1(c(c(c(c....
76 2RB0 - 260 C7 H5 Br F2 c1cc(c(c(c....
77 2RBS - 269 C9 H11 Cl O c1ccc(cc1)....
78 2OU0 Kd = 592 uM MR3 C5 H7 N Cn1cccc1
79 3HH5 - B24 C6 H10 B N B1C=CC=CN1....
80 220L Kd = 0.4 mM BNZ C6 H6 c1ccccc1
81 5JDT - MTN C10 H18 N O3 S2 CC1(C=C(C(....
82 1OVK - NYL C9 H11 N C=CCNc1ccc....
83 3HUK Kd = 0.35 mM J0Z C9 H10 O2 CC(=O)OCc1....
84 4W59 - 3GZ C12 H18 CCCCCCc1cc....
85 223L Kd = 0.4 mM BNZ C6 H6 c1ccccc1
86 3GUP - 0PY C5 H5 N c1ccncc1
87 3HT7 Kd = 0.28 mM JZ1 C8 H10 O CCc1ccccc1....
88 1OWY - PRY C9 H13 N CCCc1ccccc....
89 3DN1 - BCF C6 Cl F5 c1(c(c(c(c....
90 4W56 - 3GY C10 H14 CC[C@@H](C....
91 183L Ka = 5170 M^-1 DEN C9 H8 c1ccc2c(c1....
92 2F32 Kd = 73 mM EGD C3 H9 N3 [H]/N=C(N)....
93 5JWW Ka = 20800 M^-1 6OQ C6 H10 B N B1(C=CC=CN....
94 1OWZ - 4FA C8 H9 F O c1cc(ccc1C....
95 4I7Q - 1DQ C4 H3 F3 N2 c1c([nH]cn....
96 4EKS - 0R1 C7 H5 N O c1ccc2c(c1....
97 4I7M Ka = 13900 M^-1 2LP C9 H10 O C=CCc1cccc....
98 4I7J Kd = 480 uM BNZ C6 H6 c1ccccc1
99 4I7N - 1DJ C9 H8 O C#C[C@H](c....
100 4I7S - 1DV C5 H5 F3 N2 Cc1cc(n[nH....
101 4I7P Ka = 3155 M^-1 ES3 C3 H3 Br N2 c1c(nc[nH]....
102 4EKQ Kd = 2 uM NPO C6 H5 N O3 c1cc(ccc1[....
103 4I7L Kd = 103 uM IPH C6 H6 O c1ccc(cc1)....
104 4EKR - 0R0 C7 H5 N O c1ccc(c(c1....
105 4I7R - 1DU C5 H8 N2 O c1cnn(c1)C....
106 4I7K Kd = 905 uM MBN C7 H8 Cc1ccccc1
107 4I7T - 1DW C7 H5 Br O2 c1cc(c(cc1....
108 4EKP - NBZ C6 H5 N O2 c1ccc(cc1)....
109 4I7O - 1DH C3 H3 Cl N2 S c1c(sc(n1)....
50% Homology Family (109)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 3DN4 Ka = 51800 M^-1 PIH C6 H5 I c1ccc(cc1)....
2 1LI2 Kd = 91 uM IPH C6 H6 O c1ccc(cc1)....
3 3HH3 - B20 C4 H6 B N B1C=CC=CN1
4 4W53 Kd = 102 uM MBN C7 H8 Cc1ccccc1
5 3DMZ - HFB C6 F6 c1(c(c(c(c....
6 2OTZ Kd = 357 uM 1MR C7 H9 N CNc1ccccc1
7 1LI6 Ka = 6300 M^-1 5MP C5 H7 N Cc1cc[nH]c....
8 5G27 - MTN C10 H18 N O3 S2 CC1(C=C(C(....
9 225L - PXY C8 H10 Cc1ccc(cc1....
10 1OV5 - 2LP C9 H10 O C=CCc1cccc....
11 2RBN - 264 C8 H8 N2 c1ccc(cc1)....
12 1OV7 - LYL C10 H12 O Cc1cccc(c1....
13 2OTY Kd = 21 uM YAN C6 H4 Cl2 c1ccc(c(c1....
14 1LGX - 5AN C6 H5 F2 N c1c(cc(cc1....
15 4W54 Kd = 68 uM PYJ C8 H10 CCc1ccccc1
16 1L83 Kd = 0.4 mM BNZ C6 H6 c1ccccc1
17 3HT8 Kd = 0.12 mM JZ2 C7 H7 Cl O Cc1ccc(cc1....
18 3DNA Ka = 40900 M^-1 PIH C6 H5 I c1ccc(cc1)....
19 3HH6 - PYJ C8 H10 CCc1ccccc1
20 2RB1 - 261 C8 H10 O2 CCOc1ccccc....
21 1NHB Ka = 14800 M^-1 PYJ C8 H10 CCc1ccccc1
22 2RAY - 258 C8 H9 Cl O c1ccc(cc1)....
23 3HUA Kd = 0.278 mM JZ9 C8 H11 N c1c[nH]c2c....
24 3DN2 - BBF C6 Br F5 c1(c(c(c(c....
25 2F47 Kd = 148 mM MGX C2 H7 N3 [H]/N=C(/N....
26 2RBO - 265 C4 H3 N O2 S c1cc(sc1)[....
27 3DN0 - F5B C6 H F5 c1c(c(c(c(....
28 185L Kd = 289 uM IND C8 H7 N c1ccc2c(c1....
29 186L Kd = 14 uM N4B C10 H14 CCCCc1cccc....
30 3GUK Ka = 14100 M^-1 MBN C7 H8 Cc1ccccc1
31 5JWV Ka = 14100 M^-1 PYJ C8 H10 CCc1ccccc1
32 4W52 Kd = 175 uM BNZ C6 H6 c1ccccc1
33 1XEP - CAQ C6 H6 O2 c1ccc(c(c1....
34 3HTG - JZ7 C7 H12 O2 CCO[C@@H]1....
35 227L - BNZ C6 H6 c1ccccc1
36 3HU8 Kd = 0.79 mM 261 C8 H10 O2 CCOc1ccccc....
37 3HTF - JZ6 C3 H3 Cl N2 c1c(cn[nH]....
38 2RBP - 266 C5 H12 O S CCCSCCO
39 3HH4 - BNZ C6 H6 c1ccccc1
40 2RAZ - 259 C7 H7 N O2 S CSc1ccc(cc....
41 182L Ka = 8900 M^-1 BZF C8 H6 O c1ccc2c(c1....
42 1OVH - 2CM C7 H8 Cl N Cc1cccc(c1....
43 3HT6 Kd = 0.36 mM JZ0 C7 H8 O Cc1ccccc1O
44 5JWS Ka = 9000 M^-1 6OQ C6 H10 B N B1(C=CC=CN....
45 1L84 - BNZ C6 H6 c1ccccc1
46 3HUQ Kd = 0.25 mM J1Z C6 H4 S2 c1csc2c1sc....
47 3DMX Kd = 58.5 uM BNZ C6 H6 c1ccccc1
48 188L Kd = 469 uM OXE C8 H10 Cc1ccccc1C
49 3DN8 - IBF C6 F5 I c1(c(c(c(c....
50 3HT9 - JZ3 C7 H8 O2 COc1ccccc1....
51 4W57 Kd = 14 uM N4B C10 H14 CCCCc1cccc....
52 5JWT Ka = 18900 M^-1 BNZ C6 H6 c1ccccc1
53 3GUM Ka = 6610 M^-1 PXY C8 H10 Cc1ccc(cc1....
54 181L Ka = 5700 M^-1 BNZ C6 H6 c1ccccc1
55 3DN3 Ka = 3330 M^-1 IBF C6 F5 I c1(c(c(c(c....
56 2RBQ - 263 C8 H9 N3 Cc1cccc(c1....
57 2RB2 - 263 C8 H9 N3 Cc1cccc(c1....
58 3RUN Kd = 3.6 uM MLU OMZ ASN GHP GHP OMY 3FG BGC RER n/a n/a
59 1LI3 Kd = 56 uM 3CH C6 H5 Cl O c1cc(cc(c1....
60 2RBR - 268 C8 H10 O2 c1ccc(cc1)....
61 5JWU Ka = 87700 M^-1 B20 C4 H6 B N B1C=CC=CN1
62 3GUL Ka = 22800 M^-1 PYJ C8 H10 CCc1ccccc1
63 4W58 - 3H2 C11 H16 CCCCCc1ccc....
64 184L Ka = 51000 M^-1 I4B C10 H14 CC(C)Cc1cc....
65 3GUO Ka = 9150 M^-1 IPH C6 H6 O c1ccc(cc1)....
66 3HTD - JZ5 C5 H5 N O S c1cc(sc1)/....
67 3HTB Kd = 73.9 uM JZ4 C9 H12 O CCCc1ccccc....
68 187L Kd = 422 uM PXY C8 H10 Cc1ccc(cc1....
69 1OVJ - FLM C7 H8 F N Cc1c(cccc1....
70 4W55 Kd = 18 uM 3H0 C9 H12 CCCc1ccccc....
71 3GUJ Ka = 37200 M^-1 BNZ C6 H6 c1ccccc1
72 5LWO - RXR C10 H18 N O S2 CC1(C(=C(C....
73 3HU9 - NBE C6 H5 N O c1ccc(cc1)....
74 1LGW Kd = 100 uM 1AN C6 H6 F N c1ccc(c(c1....
75 3DN6 - F3B C6 Cl3 F3 c1(c(c(c(c....
76 2RB0 - 260 C7 H5 Br F2 c1cc(c(c(c....
77 2RBS - 269 C9 H11 Cl O c1ccc(cc1)....
78 2OU0 Kd = 592 uM MR3 C5 H7 N Cn1cccc1
79 3HH5 - B24 C6 H10 B N B1C=CC=CN1....
80 220L Kd = 0.4 mM BNZ C6 H6 c1ccccc1
81 5JDT - MTN C10 H18 N O3 S2 CC1(C=C(C(....
82 1OVK - NYL C9 H11 N C=CCNc1ccc....
83 3HUK Kd = 0.35 mM J0Z C9 H10 O2 CC(=O)OCc1....
84 4W59 - 3GZ C12 H18 CCCCCCc1cc....
85 223L Kd = 0.4 mM BNZ C6 H6 c1ccccc1
86 3GUP - 0PY C5 H5 N c1ccncc1
87 3HT7 Kd = 0.28 mM JZ1 C8 H10 O CCc1ccccc1....
88 1OWY - PRY C9 H13 N CCCc1ccccc....
89 3DN1 - BCF C6 Cl F5 c1(c(c(c(c....
90 4W56 - 3GY C10 H14 CC[C@@H](C....
91 183L Ka = 5170 M^-1 DEN C9 H8 c1ccc2c(c1....
92 2F32 Kd = 73 mM EGD C3 H9 N3 [H]/N=C(N)....
93 5JWW Ka = 20800 M^-1 6OQ C6 H10 B N B1(C=CC=CN....
94 1OWZ - 4FA C8 H9 F O c1cc(ccc1C....
95 4I7Q - 1DQ C4 H3 F3 N2 c1c([nH]cn....
96 4EKS - 0R1 C7 H5 N O c1ccc2c(c1....
97 4I7M Ka = 13900 M^-1 2LP C9 H10 O C=CCc1cccc....
98 4I7J Kd = 480 uM BNZ C6 H6 c1ccccc1
99 4I7N - 1DJ C9 H8 O C#C[C@H](c....
100 4I7S - 1DV C5 H5 F3 N2 Cc1cc(n[nH....
101 4I7P Ka = 3155 M^-1 ES3 C3 H3 Br N2 c1c(nc[nH]....
102 4EKQ Kd = 2 uM NPO C6 H5 N O3 c1cc(ccc1[....
103 4I7L Kd = 103 uM IPH C6 H6 O c1ccc(cc1)....
104 4EKR - 0R0 C7 H5 N O c1ccc(c(c1....
105 4I7R - 1DU C5 H8 N2 O c1cnn(c1)C....
106 4I7K Kd = 905 uM MBN C7 H8 Cc1ccccc1
107 4I7T - 1DW C7 H5 Br O2 c1cc(c(cc1....
108 4EKP - NBZ C6 H5 N O2 c1ccc(cc1)....
109 4I7O - 1DH C3 H3 Cl N2 S c1c(sc(n1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 1DU; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 1DU 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 1DU; Similar ligands found: 926
No: Ligand Similarity coefficient
1 HSM 1.0000
2 JBN 0.9896
3 JZ5 0.9887
4 PRO 0.9865
5 TZC 0.9846
6 2PC 0.9818
7 PYC 0.9806
8 NVI 0.9805
9 JAB 0.9788
10 HY1 0.9781
11 282 0.9776
12 FOA 0.9774
13 MZ0 0.9763
14 PY7 0.9757
15 ABN 0.9731
16 HBX 0.9728
17 SYN 0.9721
18 271 0.9701
19 BAM 0.9693
20 BVG 0.9692
21 NCA 0.9675
22 PZA 0.9667
23 SMV 0.9667
24 PYF 0.9665
25 NIO 0.9658
26 BEZ 0.9646
27 NTN 0.9643
28 TFB 0.9642
29 273 0.9635
30 265 0.9633
31 1MR 0.9630
32 2EZ 0.9628
33 TP5 0.9627
34 BEN 0.9626
35 PBC 0.9624
36 51F 0.9620
37 6PC 0.9617
38 VGL 0.9611
39 C21 0.9604
40 FAN 0.9597
41 UNU 0.9595
42 NBZ 0.9579
43 J1Z 0.9570
44 DPR 0.9569
45 BVC 0.9566
46 IZC 0.9566
47 PEL 0.9563
48 PRS 0.9560
49 PRI 0.9559
50 PYJ 0.9559
51 M58 0.9555
52 IDM 0.9542
53 BE7 0.9539
54 APY 0.9536
55 1DQ 0.9526
56 PEA 0.9521
57 HVQ 0.9510
58 VKC 0.9510
59 3PY 0.9506
60 FPI 0.9499
61 GAG 0.9494
62 OHG 0.9492
63 QSC 0.9487
64 7WG 0.9487
65 CEE 0.9484
66 SS1 0.9484
67 49F 0.9484
68 YCP 0.9484
69 MPI 0.9483
70 9CL 0.9479
71 AC0 0.9475
72 5AC 0.9475
73 PCA 0.9471
74 MLI 0.9471
75 MLA 0.9466
76 XBT 0.9461
77 OAA 0.9459
78 2K4 0.9458
79 BZI 0.9454
80 BNS 0.9452
81 JZ7 0.9451
82 BZF 0.9450
83 IND 0.9448
84 UY7 0.9447
85 0R1 0.9446
86 LZ1 0.9444
87 AMC 0.9441
88 QY9 0.9440
89 MLM 0.9439
90 MAE 0.9430
91 69O 0.9429
92 B24 0.9428
93 9X7 0.9427
94 DEN 0.9424
95 SSN 0.9424
96 RSO 0.9422
97 0CT 0.9419
98 ABU 0.9419
99 C5J 0.9415
100 IQ0 0.9415
101 RSF 0.9413
102 HDA 0.9411
103 GVH 0.9409
104 OXQ 0.9407
105 JZ9 0.9407
106 TZE 0.9405
107 SS2 0.9401
108 4JP 0.9393
109 HSE 0.9391
110 IT2 0.9385
111 5H1 0.9384
112 54D 0.9375
113 TZL 0.9375
114 ZBT 0.9375
115 HBA 0.9372
116 SPA 0.9372
117 BP9 0.9370
118 NBE 0.9369
119 MRZ 0.9366
120 14J 0.9363
121 CXF 0.9358
122 PZI 0.9357
123 FEH 0.9356
124 9YL 0.9355
125 GXE 0.9351
126 BZX 0.9349
127 2KT 0.9349
128 14O 0.9348
129 SER 0.9348
130 ABA 0.9347
131 1DJ 0.9346
132 HCS 0.9341
133 I1E 0.9340
134 T2C 0.9339
135 1PT 0.9338
136 6AI 0.9336
137 HHN 0.9334
138 UGC 0.9332
139 M6W 0.9330
140 5MB 0.9328
141 AAE 0.9328
142 DMG 0.9328
143 THE 0.9326
144 SIN 0.9326
145 HYP 0.9315
146 ASP 0.9314
147 FUM 0.9312
148 COI 0.9312
149 F60 0.9310
150 280 0.9305
151 5MI 0.9301
152 LEA 0.9298
153 PLQ 0.9298
154 P2D 0.9296
155 OK7 0.9294
156 TTO 0.9293
157 MXN 0.9290
158 8CL 0.9287
159 23W 0.9286
160 HY3 0.9281
161 HUI 0.9279
162 DGY 0.9278
163 03W 0.9278
164 BUA 0.9278
165 URF 0.9274
166 ISZ 0.9273
167 NK 0.9272
168 CFI 0.9270
169 SMB 0.9269
170 GBD 0.9268
171 4VP 0.9268
172 FBJ 0.9267
173 LGA 0.9267
174 PIH 0.9264
175 E60 0.9262
176 URA 0.9261
177 ES9 0.9260
178 HLR 0.9260
179 KG7 0.9260
180 LG4 0.9259
181 HQE 0.9259
182 MAK 0.9258
183 URO 0.9257
184 BXO 0.9256
185 DA1 0.9254
186 BAL 0.9253
187 HGW 0.9252
188 I4B 0.9248
189 IOM 0.9246
190 AC5 0.9246
191 QUZ 0.9246
192 3HL 0.9244
193 MBN 0.9243
194 IPH 0.9243
195 1AB 0.9243
196 25R 0.9242
197 MNN 0.9241
198 FPN 0.9241
199 4JU 0.9240
200 11S 0.9239
201 BML 0.9239
202 CSS 0.9238
203 60P 0.9236
204 9EW 0.9232
205 EDG 0.9231
206 BU4 0.9230
207 8GC 0.9229
208 2CK 0.9229
209 CRS 0.9229
210 2AP 0.9225
211 26D 0.9224
212 HZP 0.9221
213 HIU 0.9219
214 CEJ 0.9218
215 R2B 0.9218
216 BHO 0.9218
217 DTL 0.9218
218 NPO 0.9217
219 KIV 0.9216
220 6M9 0.9214
221 3AP 0.9213
222 MLT 0.9211
223 VAH 0.9208
224 FB2 0.9208
225 DSN 0.9207
226 F05 0.9206
227 HIS 0.9206
228 CRN 0.9202
229 0RW 0.9198
230 25T 0.9197
231 NIZ 0.9197
232 R8A 0.9195
233 PHB 0.9194
234 1LN 0.9194
235 NXA 0.9192
236 PCR 0.9192
237 MZW 0.9192
238 XIX 0.9191
239 FK1 0.9190
240 PAC 0.9187
241 H4N 0.9187
242 TEO 0.9187
243 HIO 0.9187
244 JKE 0.9186
245 SAL 0.9185
246 BSX 0.9184
247 DXX 0.9184
248 4CH 0.9183
249 RCO 0.9182
250 6M4 0.9182
251 AKG 0.9182
252 Z82 0.9181
253 LER 0.9181
254 FQI 0.9181
255 NPY 0.9180
256 WBU 0.9179
257 SVN 0.9179
258 4CL 0.9178
259 GAB 0.9178
260 1MC 0.9178
261 3AB 0.9177
262 PXY 0.9177
263 39J 0.9176
264 4AP 0.9175
265 4HO 0.9175
266 JAE 0.9175
267 3HB 0.9175
268 NMJ 0.9174
269 AX7 0.9174
270 270 0.9174
271 TDR 0.9173
272 JZ3 0.9173
273 PKU 0.9172
274 URS 0.9172
275 1DH 0.9170
276 MUC 0.9169
277 BE2 0.9169
278 HVK 0.9169
279 L3Q 0.9168
280 93B 0.9167
281 ABV 0.9167
282 CYS 0.9167
283 XM0 0.9164
284 4HS 0.9163
285 DE2 0.9161
286 IVA 0.9158
287 DAB 0.9157
288 1DV 0.9155
289 PAB 0.9155
290 3NT 0.9154
291 LMR 0.9152
292 JZ4 0.9152
293 SHF 0.9151
294 IHG 0.9151
295 PG3 0.9151
296 TH7 0.9150
297 278 0.9149
298 2RH 0.9149
299 WOT 0.9149
300 0R0 0.9148
301 DYA 0.9148
302 3HR 0.9145
303 OPE 0.9145
304 3U4 0.9144
305 PMB 0.9143
306 ALO 0.9143
307 HGQ 0.9140
308 LDU 0.9139
309 HYN 0.9138
310 C2N 0.9138
311 4SD 0.9137
312 HRZ 0.9136
313 4CS 0.9135
314 53C 0.9134
315 MET 0.9134
316 4JL 0.9133
317 40E 0.9132
318 BMD 0.9132
319 MCT 0.9131
320 ORN 0.9129
321 7WV 0.9128
322 1WD 0.9128
323 GLL 0.9127
324 YRL 0.9126
325 A3B 0.9125
326 2LP 0.9124
327 PRY 0.9123
328 4JJ 0.9123
329 THR 0.9122
330 DCY 0.9121
331 BYZ 0.9121
332 PAE 0.9121
333 PHU 0.9120
334 4SV 0.9120
335 JZ2 0.9120
336 3BZ 0.9118
337 NVA 0.9117
338 MRY 0.9117
339 3CH 0.9117
340 BVF 0.9117
341 FBA 0.9116
342 SGL 0.9115
343 P92 0.9115
344 8NY 0.9115
345 HSO 0.9115
346 HX2 0.9115
347 A2Q 0.9114
348 2AC 0.9114
349 2MI 0.9112
350 2IM 0.9112
351 1SP 0.9112
352 275 0.9111
353 2MH 0.9111
354 4JN 0.9109
355 ICP 0.9109
356 PYD 0.9109
357 MWM 0.9108
358 OVV 0.9107
359 MSF 0.9106
360 XBZ 0.9105
361 CYT 0.9104
362 CYH 0.9103
363 2MP 0.9101
364 1Y6 0.9099
365 M4T 0.9097
366 FPY 0.9097
367 NMG 0.9097
368 HT4 0.9095
369 4MV 0.9093
370 5HN 0.9093
371 H8N 0.9093
372 VAL 0.9092
373 CP 0.9092
374 HPY 0.9091
375 HMH 0.9090
376 9PO 0.9090
377 LG3 0.9090
378 FLA 0.9089
379 TLA 0.9089
380 2RA 0.9089
381 SAR 0.9088
382 4FA 0.9088
383 BR9 0.9087
384 HBD 0.9086
385 3SK 0.9084
386 ES6 0.9083
387 BEW 0.9082
388 SHO 0.9081
389 FBM 0.9080
390 1KA 0.9080
391 H3M 0.9080
392 P72 0.9079
393 4ZE 0.9079
394 JZ6 0.9075
395 MWJ 0.9075
396 286 0.9075
397 GJZ 0.9074
398 27Y 0.9073
399 7N0 0.9073
400 N4B 0.9072
401 174 0.9069
402 4MA 0.9069
403 FW5 0.9067
404 XYD 0.9066
405 ES3 0.9066
406 A1U 0.9065
407 5UC 0.9065
408 KOJ 0.9065
409 F9P 0.9064
410 IDH 0.9063
411 ASN 0.9063
412 TPA 0.9062
413 24T 0.9062
414 DAV 0.9062
415 URQ 0.9062
416 826 0.9061
417 268 0.9060
418 AHR 0.9060
419 NLE 0.9060
420 HEW 0.9059
421 GOL 0.9055
422 BRT 0.9055
423 OXL 0.9054
424 PYZ 0.9053
425 DBB 0.9053
426 LG5 0.9051
427 AC6 0.9049
428 8GF 0.9049
429 JBE 0.9047
430 JYD 0.9046
431 TH0 0.9045
432 MMZ 0.9044
433 S0H 0.9044
434 5OB 0.9043
435 XAP 0.9042
436 DAS 0.9042
437 PBZ 0.9042
438 AEF 0.9039
439 L60 0.9038
440 261 0.9038
441 IMR 0.9037
442 4H2 0.9036
443 XUL 0.9036
444 SW7 0.9036
445 A8C 0.9036
446 3OC 0.9035
447 5JC 0.9035
448 KMT 0.9033
449 CXL 0.9033
450 BNF 0.9032
451 4MZ 0.9032
452 34A 0.9031
453 H95 0.9030
454 ILE 0.9029
455 CHT 0.9028
456 LEU 0.9024
457 3OH 0.9024
458 R9M 0.9023
459 R1X 0.9022
460 V1L 0.9022
461 MTG 0.9021
462 WCE 0.9020
463 SAT 0.9020
464 284 0.9019
465 1P3 0.9016
466 R9S 0.9016
467 2YU 0.9015
468 ITU 0.9015
469 IOL 0.9014
470 B3R 0.9013
471 43M 0.9012
472 ITN 0.9009
473 5KX 0.9009
474 CAQ 0.9008
475 258 0.9007
476 FP1 0.9007
477 PRA 0.9007
478 C2A 0.9006
479 A20 0.9005
480 6NA 0.9003
481 HPA 0.9003
482 SRT 0.9001
483 4JM 0.9001
484 C2B 0.9001
485 CIG 0.8999
486 RIB 0.8998
487 UYA 0.8996
488 XLS 0.8996
489 OXE 0.8995
490 MZG 0.8995
491 URP 0.8995
492 4XR 0.8994
493 PBE 0.8994
494 3ZQ 0.8991
495 717 0.8990
496 ICF 0.8989
497 47J 0.8987
498 VNJ 0.8987
499 ADE 0.8986
500 2DR 0.8981
501 IUR 0.8979
502 GRO 0.8977
503 PAF 0.8975
504 2CO 0.8975
505 DHB 0.8974
506 HAI 0.8974
507 5MP 0.8973
508 M3T 0.8971
509 ECE 0.8970
510 SNE 0.8969
511 1MZ 0.8967
512 FJO 0.8967
513 HH5 0.8966
514 L89 0.8961
515 2MZ 0.8961
516 7EX 0.8958
517 OGA 0.8957
518 192 0.8956
519 HHQ 0.8955
520 DUC 0.8955
521 93Q 0.8953
522 XRG 0.8952
523 HTS 0.8952
524 1AN 0.8952
525 MEU 0.8952
526 TAR 0.8951
527 MR3 0.8949
528 KYD 0.8948
529 DCL 0.8948
530 DHR 0.8947
531 HE2 0.8947
532 3SS 0.8946
533 DGL 0.8946
534 BP1 0.8945
535 BUB 0.8945
536 98J 0.8944
537 LT1 0.8944
538 TMZ 0.8943
539 HX3 0.8942
540 ES7 0.8941
541 KKN 0.8941
542 2AF 0.8940
543 CMS 0.8940
544 7VD 0.8940
545 RMN 0.8939
546 HTX 0.8939
547 2CH 0.8938
548 8LG 0.8938
549 5MH 0.8938
550 7HP 0.8935
551 PUT 0.8934
552 9RW 0.8933
553 RB5 0.8933
554 6X8 0.8930
555 8EZ 0.8929
556 76X 0.8928
557 ISN 0.8926
558 TM7 0.8926
559 JB5 0.8926
560 5B1 0.8924
561 ETM 0.8923
562 4JO 0.8922
563 AL0 0.8922
564 DMV 0.8921
565 KPL 0.8921
566 MPD 0.8921
567 RBJ 0.8918
568 INO 0.8918
569 1P7 0.8917
570 2AS 0.8917
571 FP2 0.8916
572 XQ0 0.8915
573 ETX 0.8914
574 SYC 0.8913
575 HOW 0.8910
576 JZ1 0.8910
577 40O 0.8910
578 34V 0.8909
579 IPU 0.8909
580 OEG 0.8908
581 FYU 0.8908
582 4XX 0.8906
583 FCN 0.8906
584 938 0.8905
585 PGA 0.8905
586 MZY 0.8903
587 SMN 0.8902
588 7A8 0.8902
589 23B 0.8901
590 MMU 0.8900
591 7W4 0.8900
592 ES4 0.8899
593 SLP 0.8897
594 92Z 0.8896
595 PYR 0.8896
596 Z6J 0.8895
597 DE5 0.8893
598 COU 0.8889
599 3TR 0.8889
600 8H8 0.8888
601 TIU 0.8888
602 2AI 0.8887
603 AZA 0.8886
604 GLY GLY 0.8885
605 X1S 0.8885
606 EHM 0.8884
607 GUA 0.8884
608 36R 0.8880
609 PM6 0.8879
610 7B4 0.8878
611 MED 0.8878
612 RBL 0.8878
613 Y8I 0.8878
614 AZG 0.8877
615 BAE 0.8877
616 AKB 0.8876
617 TMT 0.8876
618 GLN 0.8875
619 ES5 0.8874
620 OXD 0.8874
621 IFM 0.8873
622 03V 0.8872
623 XAN 0.8872
624 10L 0.8872
625 M2H 0.8871
626 3SL 0.8871
627 XYL 0.8870
628 6GU 0.8870
629 FBV 0.8870
630 4NC 0.8869
631 9DA 0.8865
632 COM 0.8865
633 B85 0.8864
634 BAQ 0.8864
635 8X3 0.8862
636 IXW 0.8861
637 SPV 0.8861
638 HMU 0.8860
639 264 0.8859
640 BZ3 0.8859
641 ET2 0.8858
642 XYP 0.8858
643 XCZ 0.8857
644 TYL 0.8857
645 MYJ 0.8856
646 I3A 0.8856
647 4FS 0.8856
648 RP7 0.8853
649 5WV 0.8853
650 MR1 0.8853
651 DTU 0.8853
652 YAN 0.8852
653 AOA 0.8852
654 1DW 0.8851
655 DX4 0.8850
656 8OZ 0.8849
657 JZ0 0.8849
658 FB1 0.8848
659 GLU 0.8848
660 2AL 0.8848
661 1SA 0.8846
662 7HQ 0.8846
663 GLY ALA 0.8844
664 23A 0.8843
665 PCT 0.8842
666 HV2 0.8842
667 RHU 0.8841
668 4JT 0.8841
669 CIZ 0.8840
670 ATQ 0.8840
671 GBL 0.8838
672 1CB 0.8837
673 ROR 0.8836
674 1WG 0.8836
675 7WA 0.8835
676 K34 0.8835
677 2AQ 0.8833
678 ABE 0.8833
679 4HA 0.8832
680 BUQ 0.8831
681 DBH 0.8831
682 285 0.8829
683 6MP 0.8829
684 H42 0.8828
685 AHB 0.8827
686 0TR 0.8825
687 DMD 0.8825
688 NNO 0.8825
689 YH7 0.8825
690 173 0.8824
691 3MT 0.8822
692 NEQ 0.8822
693 CLW 0.8821
694 2HO 0.8815
695 DGN 0.8815
696 RUU 0.8813
697 3ID 0.8813
698 OCH 0.8813
699 NYL 0.8812
700 PEP 0.8812
701 P9P 0.8810
702 YHO 0.8809
703 4P5 0.8807
704 PE9 0.8806
705 24B 0.8805
706 FCR 0.8805
707 FUB 0.8805
708 2IT 0.8805
709 DYT 0.8804
710 TAU 0.8803
711 GUN 0.8803
712 150 0.8803
713 FA0 0.8799
714 3HA 0.8799
715 93K 0.8798
716 ICC 0.8797
717 A2F 0.8796
718 R67 0.8796
719 PPR 0.8795
720 AGK 0.8795
721 5XA 0.8795
722 5VM 0.8794
723 1LQ 0.8794
724 3M0 0.8794
725 PMF 0.8793
726 LXC 0.8793
727 9HX 0.8793
728 5XC 0.8792
729 5NU 0.8792
730 7MU 0.8790
731 RM1 0.8789
732 HHA 0.8789
733 IP0 0.8787
734 PAH 0.8785
735 ADZ 0.8785
736 AMT 0.8784
737 2CQ 0.8784
738 NSP 0.8784
739 5RG 0.8783
740 XX2 0.8782
741 6SP 0.8781
742 ODV 0.8779
743 DHS 0.8778
744 BTE 0.8777
745 Q88 0.8776
746 HPS 0.8775
747 FSG 0.8774
748 1AC 0.8773
749 TSU 0.8772
750 M1A 0.8772
751 2HA 0.8771
752 TB6 0.8771
753 9TZ 0.8770
754 2XX 0.8768
755 6AP 0.8768
756 4A3 0.8768
757 0V5 0.8767
758 PEQ 0.8767
759 2HG 0.8767
760 FHB 0.8765
761 3MC 0.8765
762 3XX 0.8765
763 GYE 0.8764
764 9X6 0.8764
765 3F0 0.8762
766 GIF 0.8761
767 8K2 0.8760
768 SHA 0.8758
769 67N 0.8757
770 MB3 0.8755
771 ACH 0.8755
772 1P8 0.8755
773 DOB 0.8754
774 FBW 0.8753
775 JLZ 0.8753
776 45C 0.8753
777 5M0 0.8752
778 45L 0.8750
779 QSB 0.8749
780 BTL 0.8749
781 OXM 0.8749
782 LAC 0.8748
783 5CU 0.8747
784 9TY 0.8747
785 3HM 0.8746
786 ZZT 0.8745
787 GTQ 0.8744
788 51R 0.8743
789 SC2 0.8742
790 3Z7 0.8739
791 7CZ 0.8738
792 3PP 0.8738
793 PYG 0.8738
794 G3H 0.8738
795 G3P 0.8738
796 ONL 0.8734
797 AAS 0.8733
798 9DG 0.8733
799 5IQ 0.8732
800 9TW 0.8732
801 DHI 0.8730
802 SAN 0.8730
803 LZM 0.8729
804 DFB 0.8729
805 CHB 0.8728
806 FBS 0.8727
807 F9Y 0.8725
808 4M0 0.8725
809 JBK 0.8723
810 BHA 0.8720
811 1SQ 0.8720
812 42A 0.8719
813 K6H 0.8715
814 ES0 0.8714
815 S2G 0.8714
816 HHI 0.8712
817 54G 0.8712
818 JFJ 0.8711
819 4ZC 0.8711
820 N5J 0.8711
821 ES2 0.8710
822 LNO 0.8710
823 GG6 0.8708
824 K7M 0.8708
825 13P 0.8704
826 4XH 0.8704
827 DTT 0.8704
828 2HE 0.8703
829 3BB 0.8703
830 H76 0.8702
831 HH8 0.8701
832 O7U 0.8700
833 64K 0.8699
834 PPV 0.8699
835 6CS 0.8698
836 24W 0.8698
837 ES1 0.8697
838 4J8 0.8697
839 3GR 0.8696
840 IHB 0.8693
841 PGH 0.8693
842 VGD 0.8692
843 0MK 0.8692
844 2TQ 0.8691
845 1NP 0.8690
846 HGY 0.8690
847 RNS 0.8689
848 XIY 0.8689
849 9SB 0.8688
850 ALA 0.8686
851 NAK 0.8685
852 ZZ3 0.8685
853 LDP 0.8684
854 5Q0 0.8683
855 RIP 0.8680
856 OXC 0.8678
857 2BG 0.8676
858 5SG 0.8670
859 HDH 0.8670
860 A09 0.8670
861 MEV 0.8669
862 CWM 0.8668
863 OXZ 0.8666
864 4YS 0.8666
865 MBD 0.8666
866 1XX 0.8665
867 PO6 0.8664
868 PIS 0.8663
869 JPZ 0.8661
870 PZM 0.8658
871 ASC 0.8656
872 GGL 0.8656
873 FUL 0.8654
874 QMP 0.8652
875 2OP 0.8651
876 POA 0.8651
877 449 0.8651
878 1SH 0.8649
879 4WL 0.8649
880 AZF 0.8646
881 F81 0.8645
882 2FT 0.8644
883 ARB 0.8644
884 K2T 0.8639
885 LLQ 0.8639
886 5MK 0.8638
887 DS0 0.8636
888 3AL 0.8635
889 XPO 0.8634
890 XYS 0.8634
891 OTR 0.8633
892 J9T 0.8631
893 1M2 0.8631
894 TC7 0.8628
895 6F0 0.8622
896 7MH 0.8619
897 1GP 0.8616
898 FUC 0.8615
899 O8Y 0.8611
900 ICN 0.8610
901 4ZA 0.8609
902 DFU 0.8608
903 AG2 0.8608
904 HL5 0.8604
905 KSW 0.8604
906 0CU 0.8600
907 F4Z 0.8598
908 069 0.8593
909 DOR 0.8592
910 DAL 0.8589
911 PYM 0.8580
912 P7I 0.8579
913 4AX 0.8578
914 HSL 0.8578
915 GRE 0.8575
916 ORO 0.8572
917 SEP 0.8571
918 POP 0.8570
919 OVP 0.8558
920 DGJ 0.8552
921 5HY 0.8551
922 SYV 0.8549
923 GP9 0.8547
924 7C3 0.8546
925 FK8 0.8543
926 I2M 0.8536
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4EKQ; Ligand: NPO; 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: 4ekq.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4EKQ; Ligand: NPO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4ekq.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4EKQ; Ligand: NPO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4ekq.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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