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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 9 families. | |||||
1 | 5CPB | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
2 | 5MTR | Ki = 350 nM | XT0 | C21 H20 N4 O2 | c1ccc(c(c1.... |
3 | 4BGI | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
4 | 4OHU | Ki = 0.2 nM | 2TK | C18 H21 Br O2 | CCCCCCc1cc.... |
5 | 4OIM | Ki = 2.14 nM | JUS | C19 H21 N O2 | CCCCCCc1cc.... |
6 | 2IDZ | Kd < 0.4 nM | ZID | C27 H30 N8 O15 P2 | c1cnccc1C(.... |
7 | 2AQH | Kd = 14.9 uM | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
8 | 6EP8 | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
9 | 4BII | - | PYW | C27 H32 N4 O8 | CC/C(=C1/C.... |
10 | 3FNG | ic50 = 110 nM | JPL | C19 H20 Cl2 O2 | c1cc(c(cc1.... |
11 | 2H9I | - | EAD | C29 H36 N8 O15 P2 | CCc1cc(ccn.... |
12 | 5OIC | ic50 < 1 mM | 9VQ | C11 H12 N2 O | c1cnn(c1)C.... |
13 | 1ENY | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
14 | 2NSD | ic50 = 5.16 uM | 4PI | C20 H23 N O | Cc1ccc(cc1.... |
15 | 2X23 | Ki = 7.8 nM | TCU | C19 H24 O2 | CCCCCCc1cc.... |
16 | 5G0U | ic50 = 0.297 uM | 9CV | C30 H31 F N6 O2 | CNC(=O)c1c.... |
17 | 4TRN | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
18 | 5OIM | ic50 = 790 uM | 9VZ | C11 H15 N O2 S | CCOC(=O)[C.... |
19 | 2X22 | Ki = 7.8 nM | TCU | C19 H24 O2 | CCCCCCc1cc.... |
20 | 4DQU | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
21 | 2IE0 | - | ZID | C27 H30 N8 O15 P2 | c1cnccc1C(.... |
22 | 4U0J | ic50 = 10.66 uM | 566 | C17 H22 N2 O2 | c1ccc(cc1).... |
23 | 4COD | ic50 = 34 nM | KV1 | C23 H27 N5 O4 | CCc1cc(n(n.... |
24 | 5COQ | Ki = 427.5 nM | TCU | C19 H24 O2 | CCCCCCc1cc.... |
25 | 2AQ8 | Kd = 2.5 uM | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
26 | 4TZK | ic50 = 0.39 uM | 641 | C17 H20 Cl2 N2 O2 | c1c(cc(cc1.... |
27 | 4QXM | ic50 = 0.05 uM | 713 | C20 H19 Cl F N3 O | Cc1cc(n(n1.... |
28 | 4BGE | - | PYW | C27 H32 N4 O8 | CC/C(=C1/C.... |
29 | 2PR2 | Ki = 130 nM | DG1 | C27 H33 N8 O18 P3 | c1cnccc1C(.... |
30 | 5OIR | Kd = 6.3 uM | 9W8 | C16 H20 N4 O | CC1=CC(=O).... |
31 | 2NTJ | Ki = 2 nM | P1H | C30 H38 N8 O15 P2 | CCCc1cc(cc.... |
32 | 5G0W | ic50 = 16.3 uM | 9NU | C32 H40 N6 O5 | C[C@H]([C@.... |
33 | 5MTP | Ki = 610 nM | 53K | C22 H19 N3 O2 | Cc1ccccc1O.... |
34 | 4TRJ | ic50 = 0.89 uM | 665 | C17 H21 Br N2 O2 | c1cc(cc(c1.... |
35 | 3FNF | ic50 = 51 nM | JPM | C19 H14 Cl2 O2 | c1ccc(cc1).... |
36 | 4BQR | ic50 = 0.2 uM | IBH | C16 H14 F2 N4 O2 S2 | Cc1csc(n1).... |
37 | 5VRM | - | 9JJ | C35 H37 B F3 N7 O17 P2 | B1(c2cc(cc.... |
38 | 4BQP | Kd = 13.7 nM | VMY | C18 H16 F2 N6 O S2 | Cc1csc(n1).... |
39 | 5OIS | ic50 = 500 nM | 9WK | C19 H18 Cl F N4 O | Cc1cc(n(n1.... |
40 | 4OXK | Ki = 40 nM | 1S5 | C19 H26 N2 O2 | CCCCCCC1=C.... |
41 | 5UGU | Ki = 370 nM | XTV | C19 H16 N4 O2 | c1ccc(c(c1.... |
42 | 5OIP | ic50 = 79 uM | 9WE | C16 H20 N6 O | c1cc(cnc1).... |
43 | 4OYR | Ki = 0.96 nM | 1US | C18 H21 Cl O2 | CCCCCCc1cc.... |
44 | 4DTI | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
45 | 3OF2 | Kd = 4.7 uM | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
46 | 3OEY | Kd = 3.5 uM | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
47 | 2AQI | Kd = 32 uM | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
48 | 5G0S | ic50 = 0.065 uM | EEH | C33 H40 N4 O4 S | Cc1c2ccccc.... |
49 | 2NV6 | ic50 = 323 nM | ZID | C27 H30 N8 O15 P2 | c1cnccc1C(.... |
50 | 4U0K | ic50 = 0.97 uM | 744 | C18 H23 Cl N2 O2 | Cc1ccc(cc1.... |
51 | 4DRE | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
52 | 4TRO | Ki = 0.75 nM | NAD ZID | n/a | n/a |
53 | 2AQK | Kd = 23 uM | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
54 | 5OIF | ic50 = 500 uM | 9W5 | C11 H13 N3 | Cc1cc(n(n1.... |
55 | 5G0V | ic50 = 5.917 uM | JDD | C24 H28 N6 O2 | CNC(=O)CN(.... |
56 | 5G0T | ic50 = 0.057 uM | S72 | C29 H35 F N6 O3 | Cc1c(nnn1C.... |
57 | 2NTV | Ki = 11 nM | P1H | C30 H38 N8 O15 P2 | CCCc1cc(cc.... |
58 | 4OXY | Ki = 129 nM | 1TN | C18 H21 N O4 | CCCCCCc1cc.... |
59 | 2IEB | - | ZID | C27 H30 N8 O15 P2 | c1cnccc1C(.... |
60 | 3FNE | ic50 = 29 nM | 8PC | C18 H13 Cl2 N O2 | c1ccnc(c1).... |
61 | 2B35 | Ki = 0.22 uM | TCL | C12 H7 Cl3 O2 | c1cc(c(cc1.... |
62 | 4TZT | ic50 = 23.12 uM | 468 | C18 H23 Cl N2 O2 | Cc1c(cccc1.... |
63 | 4OXN | Ki = 40 nM | 1S5 | C19 H26 N2 O2 | CCCCCCC1=C.... |
64 | 5CP8 | Ki = 1570.6 nM | TCU | C19 H24 O2 | CCCCCCc1cc.... |
65 | 3OEW | Kd = 1.5 uM | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 3PJD | ic50 = 380 nM | TCL | C12 H7 Cl3 O2 | c1cc(c(cc1.... |
2 | 1QSG | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
3 | 1DFG | - | NAD NDT | n/a | n/a |
4 | 1I30 | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
5 | 1DFH | - | NAD TDB | n/a | n/a |
6 | 1QG6 | Kd = 22 pM | TCL | C12 H7 Cl3 O2 | c1cc(c(cc1.... |
7 | 4CV2 | - | PT6 | C19 H20 N2 O2 S | Cc1c(cccc1.... |
8 | 4D46 | - | J47 | C13 H7 Br Cl N O2 | c1cc(c(cc1.... |
9 | 1C14 | ic50 = 120 nM | TCL | C12 H7 Cl3 O2 | c1cc(c(cc1.... |
10 | 1LXC | ic50 = 0.37 uM | AYM | C19 H20 N4 O | Cn1c2ccccc.... |
11 | 1MFP | ic50 = 0.07 uM | IDN | C22 H22 N4 O2 | Cn1cc(c2c1.... |
12 | 4CV3 | Ki = 7 nM | VT4 | C19 H25 N O2 | CCCCCCC1=C.... |
13 | 1DFI | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
14 | 1D8A | - | TCL | C12 H7 Cl3 O2 | c1cc(c(cc1.... |
15 | 3PJE | ic50 = 470 nM | TCL | C12 H7 Cl3 O2 | c1cc(c(cc1.... |
16 | 1LX6 | - | ZAM | C22 H26 N4 O2 | CC(=O)N(C).... |
17 | 3PJF | ic50 = 68500 nM | TCL | C12 H7 Cl3 O2 | c1cc(c(cc1.... |
18 | 4BNK | Ki = 1.42 nM | FPL | C12 H9 F O2 | c1ccc(cc1).... |
19 | 4ALI | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
20 | 4CV0 | - | PT6 | C19 H20 N2 O2 S | Cc1c(cccc1.... |
21 | 4D41 | Ki = 0.05 nM | JA1 | C18 H21 N O4 | CCCCCCc1cc.... |
22 | 4BNG | Ki = 0.04 nM | 5PP | C17 H20 O2 | CCCCCc1ccc.... |
23 | 4BNL | Ki = 110 pM | W1G | C15 H14 O2 | C=CCc1ccc(.... |
24 | 4D45 | Ki = 0.17 nM | J47 | C13 H7 Br Cl N O2 | c1cc(c(cc1.... |
25 | 4BNM | - | TCU | C19 H24 O2 | CCCCCCc1cc.... |
26 | 4ALK | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
27 | 3GR6 | Kd = 18.6 uM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
28 | 4BNH | Ki = 10 pM | 6PN | C18 H22 O2 | CCCCCCc1cc.... |
29 | 4BNI | Ki = 120 pM | P1F | C18 H23 N O2 | CCCCCCc1cc.... |
30 | 4BNN | Ki = 120 pM | JUS | C19 H21 N O2 | CCCCCCc1cc.... |
31 | 4CV1 | - | PT6 | C19 H20 N2 O2 S | Cc1c(cccc1.... |
32 | 4BNJ | Ki = 380 pM | MJ5 | C13 H12 O2 | Cc1ccc(c(c.... |
33 | 4FS3 | Ki = 12.8 nM | 0WE | C22 H23 N3 O3 | Cc1c2ccccc.... |
34 | 4D44 | Ki = 0.35 nM | JA3 | C13 H11 F2 N O2 | CCc1cc(c(c.... |
35 | 4D43 | Ki = 0.75 nM | 9W7 | C14 H11 Cl F N O4 | CCc1cc(c(c.... |
36 | 4ALJ | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
37 | 4BNF | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
38 | 4D42 | Ki = 0.01 nM | W0I | C18 H21 F O2 | CCCCCCc1cc.... |
39 | 5CPB | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
40 | 5MTR | Ki = 350 nM | XT0 | C21 H20 N4 O2 | c1ccc(c(c1.... |
41 | 4BGI | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
42 | 4OHU | Ki = 0.2 nM | 2TK | C18 H21 Br O2 | CCCCCCc1cc.... |
43 | 4OIM | Ki = 2.14 nM | JUS | C19 H21 N O2 | CCCCCCc1cc.... |
44 | 2IDZ | Kd < 0.4 nM | ZID | C27 H30 N8 O15 P2 | c1cnccc1C(.... |
45 | 2AQH | Kd = 14.9 uM | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
46 | 6EP8 | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
47 | 4BII | - | PYW | C27 H32 N4 O8 | CC/C(=C1/C.... |
48 | 3FNG | ic50 = 110 nM | JPL | C19 H20 Cl2 O2 | c1cc(c(cc1.... |
49 | 2H9I | - | EAD | C29 H36 N8 O15 P2 | CCc1cc(ccn.... |
50 | 5OIC | ic50 < 1 mM | 9VQ | C11 H12 N2 O | c1cnn(c1)C.... |
51 | 1ENY | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
52 | 2NSD | ic50 = 5.16 uM | 4PI | C20 H23 N O | Cc1ccc(cc1.... |
53 | 2X23 | Ki = 7.8 nM | TCU | C19 H24 O2 | CCCCCCc1cc.... |
54 | 5G0U | ic50 = 0.297 uM | 9CV | C30 H31 F N6 O2 | CNC(=O)c1c.... |
55 | 4TRN | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
56 | 5OIM | ic50 = 790 uM | 9VZ | C11 H15 N O2 S | CCOC(=O)[C.... |
57 | 2X22 | Ki = 7.8 nM | TCU | C19 H24 O2 | CCCCCCc1cc.... |
58 | 4DQU | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
59 | 2IE0 | - | ZID | C27 H30 N8 O15 P2 | c1cnccc1C(.... |
60 | 4U0J | ic50 = 10.66 uM | 566 | C17 H22 N2 O2 | c1ccc(cc1).... |
61 | 4COD | ic50 = 34 nM | KV1 | C23 H27 N5 O4 | CCc1cc(n(n.... |
62 | 5COQ | Ki = 427.5 nM | TCU | C19 H24 O2 | CCCCCCc1cc.... |
63 | 2AQ8 | Kd = 2.5 uM | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
64 | 4TZK | ic50 = 0.39 uM | 641 | C17 H20 Cl2 N2 O2 | c1c(cc(cc1.... |
65 | 4QXM | ic50 = 0.05 uM | 713 | C20 H19 Cl F N3 O | Cc1cc(n(n1.... |
66 | 4BGE | - | PYW | C27 H32 N4 O8 | CC/C(=C1/C.... |
67 | 2PR2 | Ki = 130 nM | DG1 | C27 H33 N8 O18 P3 | c1cnccc1C(.... |
68 | 5OIR | Kd = 6.3 uM | 9W8 | C16 H20 N4 O | CC1=CC(=O).... |
69 | 2NTJ | Ki = 2 nM | P1H | C30 H38 N8 O15 P2 | CCCc1cc(cc.... |
70 | 5G0W | ic50 = 16.3 uM | 9NU | C32 H40 N6 O5 | C[C@H]([C@.... |
71 | 5MTP | Ki = 610 nM | 53K | C22 H19 N3 O2 | Cc1ccccc1O.... |
72 | 4TRJ | ic50 = 0.89 uM | 665 | C17 H21 Br N2 O2 | c1cc(cc(c1.... |
73 | 3FNF | ic50 = 51 nM | JPM | C19 H14 Cl2 O2 | c1ccc(cc1).... |
74 | 4BQR | ic50 = 0.2 uM | IBH | C16 H14 F2 N4 O2 S2 | Cc1csc(n1).... |
75 | 5VRM | - | 9JJ | C35 H37 B F3 N7 O17 P2 | B1(c2cc(cc.... |
76 | 4BQP | Kd = 13.7 nM | VMY | C18 H16 F2 N6 O S2 | Cc1csc(n1).... |
77 | 5OIS | ic50 = 500 nM | 9WK | C19 H18 Cl F N4 O | Cc1cc(n(n1.... |
78 | 4OXK | Ki = 40 nM | 1S5 | C19 H26 N2 O2 | CCCCCCC1=C.... |
79 | 5UGU | Ki = 370 nM | XTV | C19 H16 N4 O2 | c1ccc(c(c1.... |
80 | 5OIP | ic50 = 79 uM | 9WE | C16 H20 N6 O | c1cc(cnc1).... |
81 | 4OYR | Ki = 0.96 nM | 1US | C18 H21 Cl O2 | CCCCCCc1cc.... |
82 | 4DTI | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
83 | 3OF2 | Kd = 4.7 uM | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
84 | 3OEY | Kd = 3.5 uM | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
85 | 2AQI | Kd = 32 uM | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
86 | 5G0S | ic50 = 0.065 uM | EEH | C33 H40 N4 O4 S | Cc1c2ccccc.... |
87 | 2NV6 | ic50 = 323 nM | ZID | C27 H30 N8 O15 P2 | c1cnccc1C(.... |
88 | 4U0K | ic50 = 0.97 uM | 744 | C18 H23 Cl N2 O2 | Cc1ccc(cc1.... |
89 | 4DRE | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
90 | 4TRO | Ki = 0.75 nM | NAD ZID | n/a | n/a |
91 | 2AQK | Kd = 23 uM | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
92 | 5OIF | ic50 = 500 uM | 9W5 | C11 H13 N3 | Cc1cc(n(n1.... |
93 | 5G0V | ic50 = 5.917 uM | JDD | C24 H28 N6 O2 | CNC(=O)CN(.... |
94 | 5G0T | ic50 = 0.057 uM | S72 | C29 H35 F N6 O3 | Cc1c(nnn1C.... |
95 | 2NTV | Ki = 11 nM | P1H | C30 H38 N8 O15 P2 | CCCc1cc(cc.... |
96 | 4OXY | Ki = 129 nM | 1TN | C18 H21 N O4 | CCCCCCc1cc.... |
97 | 2IEB | - | ZID | C27 H30 N8 O15 P2 | c1cnccc1C(.... |
98 | 3FNE | ic50 = 29 nM | 8PC | C18 H13 Cl2 N O2 | c1ccnc(c1).... |
99 | 2B35 | Ki = 0.22 uM | TCL | C12 H7 Cl3 O2 | c1cc(c(cc1.... |
100 | 4TZT | ic50 = 23.12 uM | 468 | C18 H23 Cl N2 O2 | Cc1c(cccc1.... |
101 | 4OXN | Ki = 40 nM | 1S5 | C19 H26 N2 O2 | CCCCCCC1=C.... |
102 | 5CP8 | Ki = 1570.6 nM | TCU | C19 H24 O2 | CCCCCCc1cc.... |
103 | 3OEW | Kd = 1.5 uM | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
104 | 1D7O | - | TCL | C12 H7 Cl3 O2 | c1cc(c(cc1.... |
105 | 1CWU | - | NAD TDB | n/a | n/a |
106 | 1ENO | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
107 | 4BKU | - | 1S5 | C19 H26 N2 O2 | CCCCCCC1=C.... |
108 | 5I8W | Ki = 55 nM | 69H | C19 H23 F O2 | CCCCCCc1cc.... |
109 | 5I9M | Ki = 55 nM | 69K | C14 H14 F N O2 | CCc1cc(c(c.... |
110 | 5I8Z | Ki = 158 nM | JA1 | C18 H21 N O4 | CCCCCCc1cc.... |
111 | 5I7S | Ki = 32 nM | E9P | C14 H14 O2 | CCc1ccc(c(.... |
112 | 5I9L | Ki = 153 nM | 9W7 | C14 H11 Cl F N O4 | CCc1cc(c(c.... |
113 | 2WYV | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
114 | 2WYW | - | TCL | C12 H7 Cl3 O2 | c1cc(c(cc1.... |
115 | 2ZTV | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
116 | 3LT4 | Ki = 0.1 uM | FB4 | C12 H9 Cl2 N O2 | c1cc(c(cc1.... |
117 | 3AM4 | ic50 = 97 nM | FT1 | C13 H8 Cl2 O3 | c1cc(c(cc1.... |
118 | 2O2Y | Ki = 0.4 nM | TCL | C12 H7 Cl3 O2 | c1cc(c(cc1.... |
119 | 1VRW | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
120 | 1UH5 | - | TCL | C12 H7 Cl3 O2 | c1cc(c(cc1.... |
121 | 3AM3 | Ki = 28 nM | TCL | C12 H7 Cl3 O2 | c1cc(c(cc1.... |
122 | 3LT1 | Ki = 0.32 uM | FT2 | C13 H9 Cl3 O2 | c1cc(c(cc1.... |
123 | 4IGE | ic50 = 0.25 uM | CHJ | C16 H11 Cl O4 | CC1=CC(=O).... |
124 | 2OL4 | ic50 = 440 nM | JPN | C21 H18 Cl2 O2 | c1ccc(cc1).... |
125 | 3LT0 | Ki = 0.18 uM | FT1 | C13 H8 Cl2 O3 | c1cc(c(cc1.... |
126 | 3AM5 | Ki = 38 nM | TCL | C12 H7 Cl3 O2 | c1cc(c(cc1.... |
127 | 4IGF | ic50 = 6 uM | CHV | C15 H9 Cl O5 | c1cc2c(cc1.... |
128 | 1ZK1 | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
129 | 2WSB | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
130 | 5CG1 | - | NAD BBN | n/a | n/a |
131 | 5CG2 | - | NAD CJ3 | n/a | n/a |
132 | 5OVL | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
133 | 5YCS | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
134 | 2QIO | ic50 = 3.6 uM | TCL | C12 H7 Cl3 O2 | c1cc(c(cc1.... |
135 | 3OJF | ic50 = 0.06 uM | IMJ | C23 H24 N4 O2 | Cc1c(c2ccc.... |
136 | 5YCR | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
137 | 3OIG | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
138 | 4O1M | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
139 | 3OID | - | TCL | C12 H7 Cl3 O2 | c1cc(c(cc1.... |
140 | 2PD4 | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
141 | 2PD3 | - | TCL | C12 H7 Cl3 O2 | c1cc(c(cc1.... |
142 | 1EDO | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
143 | 4Q9N | ic50 = 0.95 uM | 0WE | C22 H23 N3 O3 | Cc1c2ccccc.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | A3D | 0.872727 | 0.986111 |
2 | NHD | 0.821429 | 0.972222 |
3 | NAP | 0.811966 | 0.986111 |
4 | NFD | 0.791304 | 0.946667 |
5 | NXX | 0.765766 | 0.972603 |
6 | DND | 0.765766 | 0.972603 |
7 | AMP NAD | 0.74359 | 0.972222 |
8 | ZID | 0.737705 | 0.986111 |
9 | NAQ | 0.729508 | 0.934211 |
10 | NAE | 0.721311 | 0.959459 |
11 | NA0 | 0.712 | 0.972603 |
12 | TAP | 0.704 | 0.921053 |
13 | NDE | 0.689922 | 0.972603 |
14 | NAJ | 0.683333 | 0.972222 |
15 | NDC | 0.679389 | 0.934211 |
16 | NDO | 0.674603 | 0.958904 |
17 | N01 | 0.656 | 0.972222 |
18 | CNA | 0.642276 | 0.972603 |
19 | NBP | 0.621212 | 0.922078 |
20 | 8ID | 0.609756 | 0.922078 |
21 | A2D | 0.576923 | 0.958333 |
22 | ADP | 0.575472 | 0.931507 |
23 | NGD | 0.574803 | 0.922078 |
24 | BA3 | 0.566038 | 0.958333 |
25 | M33 | 0.564815 | 0.918919 |
26 | ADP PO3 | 0.563636 | 0.957747 |
27 | B4P | 0.560748 | 0.958333 |
28 | AP5 | 0.560748 | 0.958333 |
29 | AN2 | 0.555556 | 0.918919 |
30 | AT4 | 0.555556 | 0.894737 |
31 | GAP | 0.553571 | 0.932432 |
32 | OOB | 0.551724 | 0.972222 |
33 | CA0 | 0.550459 | 0.932432 |
34 | 9JJ | 0.546053 | 0.898734 |
35 | HEJ | 0.545455 | 0.931507 |
36 | ACP | 0.545455 | 0.906667 |
37 | ATP | 0.545455 | 0.931507 |
38 | DQV | 0.544 | 0.972222 |
39 | ADP ALF | 0.54386 | 0.883117 |
40 | ALF ADP | 0.54386 | 0.883117 |
41 | DAL AMP | 0.543103 | 0.945205 |
42 | APR | 0.540541 | 0.931507 |
43 | AQP | 0.540541 | 0.931507 |
44 | AR6 | 0.540541 | 0.931507 |
45 | 5FA | 0.540541 | 0.931507 |
46 | ADP VO4 | 0.53913 | 0.945205 |
47 | VO4 ADP | 0.53913 | 0.945205 |
48 | AD9 | 0.535714 | 0.906667 |
49 | SAP | 0.535714 | 0.883117 |
50 | AGS | 0.535714 | 0.883117 |
51 | WAQ | 0.533333 | 0.896104 |
52 | ABM | 0.53271 | 0.905405 |
53 | DLL | 0.529412 | 0.972222 |
54 | 00A | 0.529412 | 0.921053 |
55 | ACQ | 0.526316 | 0.906667 |
56 | NJP | 0.526316 | 0.959459 |
57 | ANP | 0.526316 | 0.906667 |
58 | OAD | 0.525 | 0.932432 |
59 | ADX | 0.522523 | 0.839506 |
60 | 5AL | 0.521739 | 0.945205 |
61 | A1R | 0.521008 | 0.871795 |
62 | 9SN | 0.520325 | 0.909091 |
63 | A | 0.518868 | 0.930556 |
64 | AMP | 0.518868 | 0.930556 |
65 | 50T | 0.517857 | 0.893333 |
66 | ATF | 0.517241 | 0.894737 |
67 | 1ZZ | 0.516393 | 0.851852 |
68 | 3OD | 0.516393 | 0.932432 |
69 | SON | 0.513514 | 0.92 |
70 | PRX | 0.513274 | 0.881579 |
71 | 6YZ | 0.512821 | 0.906667 |
72 | SRP | 0.512821 | 0.92 |
73 | 9X8 | 0.512397 | 0.883117 |
74 | ADP BMA | 0.512397 | 0.932432 |
75 | 3UK | 0.512397 | 0.958904 |
76 | MYR AMP | 0.512195 | 0.851852 |
77 | NAJ PZO | 0.510949 | 0.909091 |
78 | NMN | 0.509434 | 0.875 |
79 | A3R | 0.508333 | 0.871795 |
80 | B5V | 0.508197 | 0.945946 |
81 | AMP DBH | 0.507937 | 0.906667 |
82 | A22 | 0.504202 | 0.945205 |
83 | ATP A A A | 0.504 | 0.971831 |
84 | B5M | 0.504 | 0.933333 |
85 | FA5 | 0.504 | 0.945946 |
86 | 8QN | 0.5 | 0.945205 |
87 | NAX | 0.496183 | 0.886076 |
88 | TYR AMP | 0.496063 | 0.933333 |
89 | PR8 | 0.495935 | 0.8625 |
90 | AMO | 0.495868 | 0.92 |
91 | ADQ | 0.495868 | 0.932432 |
92 | 4AD | 0.495868 | 0.933333 |
93 | PAJ | 0.495868 | 0.873418 |
94 | A12 | 0.495495 | 0.894737 |
95 | AP2 | 0.495495 | 0.894737 |
96 | AHZ | 0.492308 | 0.851852 |
97 | YAP | 0.492063 | 0.933333 |
98 | FYA | 0.491935 | 0.918919 |
99 | AHX | 0.491803 | 0.884615 |
100 | 4UU | 0.488372 | 0.933333 |
101 | 5SV | 0.487603 | 0.8375 |
102 | TAT | 0.487179 | 0.894737 |
103 | T99 | 0.487179 | 0.894737 |
104 | APC | 0.486957 | 0.894737 |
105 | SRA | 0.486239 | 0.881579 |
106 | 6V0 | 0.484848 | 0.909091 |
107 | NAI | 0.484848 | 0.921053 |
108 | GTA | 0.484615 | 0.898734 |
109 | A A | 0.483871 | 0.958333 |
110 | LAD | 0.483871 | 0.873418 |
111 | AU1 | 0.482456 | 0.906667 |
112 | F2R | 0.481752 | 0.831325 |
113 | OMR | 0.481203 | 0.841463 |
114 | TXE | 0.481203 | 0.921053 |
115 | AF3 ADP 3PG | 0.481203 | 0.873418 |
116 | LAQ | 0.480916 | 0.851852 |
117 | G3A | 0.48062 | 0.909091 |
118 | B5Y | 0.480315 | 0.933333 |
119 | NB8 | 0.48 | 0.884615 |
120 | TXA | 0.48 | 0.92 |
121 | BIS | 0.48 | 0.871795 |
122 | ME8 | 0.48 | 0.851852 |
123 | PTJ | 0.48 | 0.884615 |
124 | 139 | 0.477941 | 0.886076 |
125 | LPA AMP | 0.477273 | 0.851852 |
126 | AFH | 0.476923 | 0.873418 |
127 | AR6 AR6 | 0.476923 | 0.958333 |
128 | G5P | 0.476923 | 0.909091 |
129 | ARG AMP | 0.476923 | 0.841463 |
130 | 25L | 0.47619 | 0.945205 |
131 | NAJ PYZ | 0.475524 | 0.864198 |
132 | 25A | 0.47541 | 0.958333 |
133 | 9ZA | 0.47541 | 0.896104 |
134 | 9ZD | 0.47541 | 0.896104 |
135 | DZD | 0.47482 | 0.897436 |
136 | TXD | 0.473684 | 0.921053 |
137 | 4UV | 0.472868 | 0.933333 |
138 | TYM | 0.470149 | 0.945946 |
139 | RBY | 0.470085 | 0.894737 |
140 | ADV | 0.470085 | 0.894737 |
141 | 4TA | 0.467626 | 0.864198 |
142 | 48N | 0.466165 | 0.884615 |
143 | XAH | 0.465116 | 0.851852 |
144 | 4UW | 0.462687 | 0.897436 |
145 | M24 | 0.461538 | 0.886076 |
146 | 80F | 0.460993 | 0.853659 |
147 | IOT | 0.459854 | 0.821429 |
148 | T5A | 0.456522 | 0.853659 |
149 | EAD | 0.455782 | 0.886076 |
150 | MAP | 0.455285 | 0.883117 |
151 | GA7 | 0.454545 | 0.894737 |
152 | BT5 | 0.453901 | 0.821429 |
153 | A4P | 0.452555 | 0.833333 |
154 | UP5 | 0.451852 | 0.933333 |
155 | PAP | 0.445378 | 0.917808 |
156 | 4TC | 0.445255 | 0.909091 |
157 | AP0 | 0.445255 | 0.884615 |
158 | YLP | 0.444444 | 0.831325 |
159 | P1H | 0.443709 | 0.864198 |
160 | AOC | 0.442478 | 0.810811 |
161 | Z5A | 0.439189 | 0.833333 |
162 | LMS | 0.4375 | 0.817073 |
163 | 2A5 | 0.436975 | 0.857143 |
164 | A G | 0.43662 | 0.921053 |
165 | G A A A | 0.43662 | 0.909091 |
166 | COD | 0.43662 | 0.802326 |
167 | ADJ | 0.435714 | 0.841463 |
168 | YLB | 0.434783 | 0.831325 |
169 | YLC | 0.434783 | 0.851852 |
170 | U A G G | 0.433566 | 0.921053 |
171 | ATR | 0.433333 | 0.90411 |
172 | 7MD | 0.432836 | 0.851852 |
173 | 8X1 | 0.432 | 0.764045 |
174 | G5A | 0.429752 | 0.790698 |
175 | PO4 PO4 A A A A PO4 | 0.429688 | 0.943662 |
176 | TAD | 0.42963 | 0.873418 |
177 | 5AS | 0.42735 | 0.770115 |
178 | BTX | 0.426573 | 0.831325 |
179 | YLA | 0.425532 | 0.831325 |
180 | DSZ | 0.425197 | 0.790698 |
181 | NCN | 0.424779 | 0.805556 |
182 | UPA | 0.42446 | 0.921053 |
183 | 8PZ | 0.424242 | 0.811765 |
184 | VMS | 0.424 | 0.8 |
185 | 54H | 0.424 | 0.8 |
186 | 9K8 | 0.423077 | 0.744444 |
187 | N0B | 0.422819 | 0.853659 |
188 | 6AD | 0.422764 | 0.85 |
189 | AYB | 0.422535 | 0.821429 |
190 | 7D3 | 0.422414 | 0.844156 |
191 | YLY | 0.421769 | 0.821429 |
192 | TSB | 0.420635 | 0.809524 |
193 | ODP | 0.41958 | 0.922078 |
194 | AV2 | 0.419355 | 0.855263 |
195 | FB0 | 0.419355 | 0.775281 |
196 | A5A | 0.419355 | 0.819277 |
197 | NNR | 0.419048 | 0.739726 |
198 | A A A | 0.418605 | 0.918919 |
199 | U A | 0.417808 | 0.946667 |
200 | 649 | 0.417266 | 0.775281 |
201 | NMN AMP PO4 | 0.416667 | 0.933333 |
202 | SSA | 0.416 | 0.790698 |
203 | P5A | 0.415385 | 0.755556 |
204 | LSS | 0.414062 | 0.772727 |
205 | A2R | 0.412698 | 0.918919 |
206 | 52H | 0.412698 | 0.790698 |
207 | JB6 | 0.412214 | 0.896104 |
208 | 5N5 | 0.411215 | 0.783784 |
209 | YSA | 0.410448 | 0.811765 |
210 | 53H | 0.409449 | 0.790698 |
211 | 5CA | 0.409449 | 0.790698 |
212 | ITT | 0.408333 | 0.878378 |
213 | 7D4 | 0.408333 | 0.844156 |
214 | NA7 | 0.407692 | 0.894737 |
215 | LEU LMS | 0.407692 | 0.784091 |
216 | 5CD | 0.407407 | 0.794521 |
217 | 0WD | 0.406897 | 0.909091 |
218 | A3P | 0.40678 | 0.930556 |
219 | HFD | 0.406504 | 0.883117 |
220 | AVV | 0.40625 | 0.860759 |
221 | RAB | 0.40566 | 0.808219 |
222 | XYA | 0.40566 | 0.808219 |
223 | ADN | 0.40566 | 0.808219 |
224 | FDA | 0.405063 | 0.823529 |
225 | GSU | 0.40458 | 0.790698 |
226 | 7MC | 0.404255 | 0.831325 |
227 | NSS | 0.403101 | 0.811765 |
228 | 6FA | 0.402516 | 0.853659 |
229 | PPS | 0.4 | 0.817073 |
230 | NVA LMS | 0.4 | 0.784091 |
This union binding pocket(no: 1) in the query (biounit: 4ohu.bio1) has 56 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2WOR | 2AN | None |
2 | 2BVE | PH5 | None |
3 | 3KO0 | TFP | None |
4 | 2GBB | CIT | None |
5 | 4XUB | 43D | None |
6 | 1L6O | SER LEU LYS LEU MET THR THR VAL | None |
7 | 2QLX | RM4 | None |
8 | 4YDX | TCE | None |
9 | 1PL6 | 572 | 1.03806 |
10 | 1PL6 | NAD | 1.03806 |
11 | 1Z6Z | NAP | 1.06383 |
12 | 1LPD | ADE | 1.1811 |
13 | 4XNV | BUR | 1.38408 |
14 | 1E7S | NAP | 1.38408 |
15 | 2PV7 | NAD | 1.38408 |
16 | 4E13 | NAD | 1.41343 |
17 | 3LE7 | ADE | 1.53257 |
18 | 2PK3 | A2R | 1.7301 |
19 | 6HL7 | CP | 1.7301 |
20 | 5MLR | GRQ | 1.7301 |
21 | 2P41 | SAH | 1.7301 |
22 | 5MLR | NAP | 1.7301 |
23 | 5FI3 | NAP | 1.7301 |
24 | 2JHP | SAH | 1.7301 |
25 | 2WA2 | SAM | 1.81159 |
26 | 3EVG | SAH | 1.81818 |
27 | 1J1R | ADE | 1.91571 |
28 | 2Q46 | NAP | 1.97628 |
29 | 1Q8S | MAN MMA | 1.98413 |
30 | 2PHX | MAN MAN | 1.98413 |
31 | 3A4V | PYR | 2.07612 |
32 | 3A4V | NAD | 2.07612 |
33 | 2RIO | ADP | 2.07612 |
34 | 4DPL | NAP | 2.07612 |
35 | 2GZ3 | NAP | 2.07612 |
36 | 5U5G | NAP | 2.07612 |
37 | 1NVT | NAP | 2.09059 |
38 | 5NM7 | GLY | 2.25564 |
39 | 2AG8 | NAP | 2.28137 |
40 | 1OAA | OAA | 2.3166 |
41 | 6BR8 | 6OU | 2.38095 |
42 | 3KO8 | NAD | 2.42215 |
43 | 3ABI | NAD | 2.42215 |
44 | 2OOR | NAD | 2.42215 |
45 | 4LOC | BTN | 2.42215 |
46 | 1F8G | NAD | 2.42215 |
47 | 2PNC | CLU | 2.42215 |
48 | 3O7W | SAM | 2.42215 |
49 | 1F6D | UDP | 2.42215 |
50 | 5DF1 | 58X | 2.42215 |
51 | 5DF1 | NAP | 2.42215 |
52 | 3OJO | NAD | 2.42215 |
53 | 1CER | NAD | 2.42215 |
54 | 3TLJ | SAH | 2.42215 |
55 | 1PZG | A3D | 2.42215 |
56 | 1EZ4 | NAD | 2.42215 |
57 | 1U59 | STU | 2.43902 |
58 | 2DC1 | NAD | 2.54237 |
59 | 2HK9 | ATR | 2.54545 |
60 | 2HK9 | NAP | 2.54545 |
61 | 2BHW | NEX | 2.58621 |
62 | 5MSO | NAP | 2.76817 |
63 | 3L9W | AMP | 2.76817 |
64 | 3FSY | SCA | 2.76817 |
65 | 2C29 | NAP | 2.76817 |
66 | 4XB2 | NDP | 2.76817 |
67 | 2C29 | DQH | 2.76817 |
68 | 5VRH | PLM | 2.76817 |
69 | 6C4T | NA7 | 2.76817 |
70 | 1YJQ | NAP | 2.76817 |
71 | 1I2B | NAD | 2.76817 |
72 | 1I2B | USQ | 2.76817 |
73 | 1I2B | UPG | 2.76817 |
74 | 6CEP | NAD | 2.76817 |
75 | 2PYW | SR1 | 2.76817 |
76 | 5MPT | SAH | 2.76817 |
77 | 6CEP | OXM | 2.76817 |
78 | 4XB2 | HSE | 2.76817 |
79 | 1SC6 | NAD | 2.76817 |
80 | 6BQ6 | TER | 2.76817 |
81 | 1WDK | NAD | 2.76817 |
82 | 5KKA | 6V0 | 2.76817 |
83 | 1DSS | NAD | 2.76817 |
84 | 1HYH | NAD | 2.76817 |
85 | 1EBF | NAD | 2.76817 |
86 | 2JB2 | FAD | 2.76817 |
87 | 1RM4 | NDP | 2.76817 |
88 | 1R6N | 434 | 2.8436 |
89 | 2G5C | NAD | 2.84698 |
90 | 5MTE | BB2 | 2.91971 |
91 | 3RFV | NAI | 2.99625 |
92 | 3RFV | 15L | 2.99625 |
93 | 4RJD | TFP | 3.0303 |
94 | 4PIV | NDP | 3.11419 |
95 | 5IN4 | 6CK | 3.11419 |
96 | 1GV0 | NAD | 3.11419 |
97 | 5IN4 | GDP | 3.11419 |
98 | 1ZPD | CIT | 3.11419 |
99 | 5IN4 | NAP | 3.11419 |
100 | 5OLK | DTP | 3.11419 |
101 | 3GDN | MXN | 3.11419 |
102 | 1LTH | NAD | 3.11419 |
103 | 9LDT | NAD | 3.11419 |
104 | 9LDB | NAD | 3.11419 |
105 | 1TI7 | NAP | 3.11419 |
106 | 2VUT | NAD | 3.11419 |
107 | 4IX4 | ADP | 3.11419 |
108 | 1M2W | NAD | 3.11419 |
109 | 1R6D | NAD | 3.11419 |
110 | 3H9E | NAD | 3.11419 |
111 | 5THY | SAH | 3.11419 |
112 | 1LDN | NAD | 3.11419 |
113 | 1R6D | DAU | 3.11419 |
114 | 1CF2 | NAP | 3.11419 |
115 | 5THZ | SAH | 3.11419 |
116 | 2DBZ | NAP | 3.11419 |
117 | 2CDU | ADP | 3.11419 |
118 | 6BII | NAP | 3.11419 |
119 | 2I3G | NAP | 3.125 |
120 | 1NPD | NAD | 3.125 |
121 | 2XMI | FLC | 3.16742 |
122 | 1NXJ | GLV | 3.27869 |
123 | 2DT5 | NAD | 3.31754 |
124 | 2UXI | G50 | 3.33333 |
125 | 2PX8 | SAH | 3.34572 |
126 | 3AB4 | THR | 3.37079 |
127 | 2DTJ | THR | 3.37079 |
128 | 2IZ1 | ATR | 3.46021 |
129 | 2X6T | NAP | 3.46021 |
130 | 5JAQ | NAI | 3.46021 |
131 | 1GPM | AMP | 3.46021 |
132 | 3I6I | NDP | 3.46021 |
133 | 3ICS | ADP | 3.46021 |
134 | 6C4M | NAP | 3.46021 |
135 | 6BWL | NAD | 3.46021 |
136 | 2EXX | NAP | 3.46021 |
137 | 5AOV | NAP | 3.46021 |
138 | 3SP6 | IL2 | 3.50877 |
139 | 4R38 | RBF | 3.57143 |
140 | 1LRH | NLA | 3.68098 |
141 | 2BD0 | NAP | 3.68852 |
142 | 5V4R | MGT | 3.7037 |
143 | 1CBK | ROI | 3.75 |
144 | 1BXK | NAD | 3.80623 |
145 | 6EL3 | NAP | 3.80623 |
146 | 3MG9 | GHP 3MY 3FG GHP GHP OMY 3FG | 3.80623 |
147 | 4PVD | NDP | 3.80623 |
148 | 1EQ2 | NAP | 3.80623 |
149 | 1EK6 | NAI | 3.80623 |
150 | 1GQG | DCD | 3.80623 |
151 | 1EK6 | UPG | 3.80623 |
152 | 4OM8 | NAD | 3.80623 |
153 | 5H81 | NAP | 3.80623 |
154 | 2B4R | AES | 3.80623 |
155 | 6FDF | SAH | 3.80623 |
156 | 4R5M | NAP | 3.80623 |
157 | 4LWP | SAH | 3.80623 |
158 | 4XDY | NAI | 3.80623 |
159 | 1MV8 | NAD | 3.80623 |
160 | 2B4R | NAD | 3.80623 |
161 | 1ZH8 | NAP | 3.80623 |
162 | 1E3W | NAD | 3.83142 |
163 | 2JL1 | NAP | 3.83275 |
164 | 1NFQ | NAI | 3.84615 |
165 | 1E6W | NAD | 3.84615 |
166 | 1DCP | HBI | 3.84615 |
167 | 5OOH | 9ZZ | 3.8835 |
168 | 5OOH | NAP | 3.8835 |
169 | 2F1K | NAP | 3.94265 |
170 | 5BSH | PRO | 3.97112 |
171 | 3GEG | NAD | 4.04858 |
172 | 5T9E | NAP | 4.05904 |
173 | 2Q4X | HMH | 4.0724 |
174 | 3AQT | RCO | 4.08163 |
175 | 1UAY | ADN | 4.13223 |
176 | 4TQG | NDP | 4.15225 |
177 | 5UR0 | NAD | 4.15225 |
178 | 1OC2 | TDX | 4.15225 |
179 | 1OC2 | NAD | 4.15225 |
180 | 3B20 | NAD | 4.15225 |
181 | 6BR9 | 6OU | 4.15225 |
182 | 6D6Y | SAH | 4.15225 |
183 | 2D2I | NAP | 4.15225 |
184 | 3SLS | 77D | 4.15225 |
185 | 1N5D | NDP | 4.16667 |
186 | 3GCZ | SAM | 4.25532 |
187 | 1O6Z | NAD | 4.29043 |
188 | 1XG5 | NAP | 4.30108 |
189 | 1WMA | AB3 | 4.34783 |
190 | 1WMA | NDP | 4.34783 |
191 | 5ULP | KB1 | 4.47761 |
192 | 5CUQ | NSC | 4.49438 |
193 | 1VL0 | NAI | 4.49827 |
194 | 6F8A | HIS | 4.49827 |
195 | 1A5Z | NAD | 4.49827 |
196 | 2BMB | PMM | 4.49827 |
197 | 2QZZ | NAP | 4.49827 |
198 | 2QZZ | EMF | 4.49827 |
199 | 5W7M | SAH | 4.49827 |
200 | 3H5N | ATP | 4.49827 |
201 | 4J7U | YTZ | 4.51389 |
202 | 4J7U | NAP | 4.51389 |
203 | 2PRG | BRL | 4.54545 |
204 | 5GT9 | NAP | 4.56274 |
205 | 2A14 | SAH | 4.56274 |
206 | 2GN4 | UD1 | 4.65116 |
207 | 2GN4 | NDP | 4.65116 |
208 | 1KYZ | SAH | 4.65753 |
209 | 5M37 | 9SZ | 4.78261 |
210 | 3A06 | NDP | 4.78723 |
211 | 5M36 | 9SZ | 4.80349 |
212 | 4NTO | 1PW | 4.83092 |
213 | 1V6A | TRE | 4.84429 |
214 | 1GAD | NAD | 4.84429 |
215 | 6G33 | 5ID | 4.84429 |
216 | 5OCM | NAP | 4.84429 |
217 | 1I36 | NAP | 4.92424 |
218 | 1M2T | ADE | 4.94297 |
219 | 2A92 | NAI | 4.98442 |
220 | 4NBT | NAD | 5 |
221 | 2YY7 | NAD | 5.12821 |
222 | 1NU4 | MLA | 5.15464 |
223 | 3O01 | DXC | 5.19031 |
224 | 2HJR | APR | 5.19031 |
225 | 2CIX | CEJ | 5.19031 |
226 | 5IM3 | DTP | 5.19031 |
227 | 1ZED | PNP | 5.19031 |
228 | 4ZRN | UPG | 5.19031 |
229 | 3WR7 | COA | 5.19031 |
230 | 4ZRN | NAD | 5.19031 |
231 | 1WP4 | NDP | 5.19031 |
232 | 1Q1Y | BB2 | 5.2356 |
233 | 4OSP | NAP | 5.32319 |
234 | 1HDR | NAD | 5.32787 |
235 | 3TDC | 0EU | 5.53633 |
236 | 1GY8 | NAD | 5.53633 |
237 | 5F5N | NAD | 5.53633 |
238 | 3B1F | NAD | 5.53633 |
239 | 1HYE | NAP | 5.53633 |
240 | 2UW1 | GVM | 5.53633 |
241 | 3V1U | NAD | 5.53633 |
242 | 3UPY | FOM | 5.53633 |
243 | 4ZGS | NAD | 5.53633 |
244 | 3F8C | HT1 | 5.55556 |
245 | 2BKA | NDP | 5.78512 |
246 | 4D79 | ATP | 5.7971 |
247 | 1Z45 | NAD | 5.88235 |
248 | 4N49 | SAM | 5.88235 |
249 | 4G5H | UD7 | 5.88235 |
250 | 4G5H | NAP | 5.88235 |
251 | 2JLD | ALA GLY GLY ALA ALA ALA ALA ALA | 5.88235 |
252 | 4EKQ | NPO | 5.88235 |
253 | 1YS4 | NAP | 5.88235 |
254 | 5LD5 | NAD | 5.88235 |
255 | 2ZW5 | COA | 5.88235 |
256 | 3O0G | 3O0 | 5.88235 |
257 | 2VDF | OCT | 5.92885 |
258 | 3W68 | 4PT | 6.01504 |
259 | 1JA9 | NDP | 6.22837 |
260 | 3LU1 | NAD | 6.22837 |
261 | 4YAC | NAI | 6.22837 |
262 | 1N7G | NDP | 6.22837 |
263 | 1N7G | GDR | 6.22837 |
264 | 5OJL | TXP | 6.22837 |
265 | 2ZWA | SAH | 6.22837 |
266 | 4BCQ | TJF | 6.22837 |
267 | 5LMK | 6ZK | 6.22837 |
268 | 4R57 | ACO | 6.25 |
269 | 2BCG | GER | 6.31068 |
270 | 2VT3 | ATP | 6.51163 |
271 | 1ZBQ | NAD | 6.57439 |
272 | 1WVG | APR | 6.57439 |
273 | 1GUZ | NAD | 6.57439 |
274 | 3H8V | ATP | 6.57439 |
275 | 1PZM | 5GP | 6.57439 |
276 | 3V1Y | NAD | 6.57439 |
277 | 1KEW | NAD | 6.57439 |
278 | 1KEW | TYD | 6.57439 |
279 | 5K4W | NAI | 6.57439 |
280 | 5K4W | THR | 6.57439 |
281 | 1OMO | NAD | 6.57439 |
282 | 3D78 | NBB | 6.72269 |
283 | 4U7W | NDP | 6.92042 |
284 | 2VYN | NAD | 6.92042 |
285 | 2FR1 | NDP | 6.92042 |
286 | 3RET | SAL | 6.93069 |
287 | 4RDH | AMP | 6.94444 |
288 | 5LX9 | OLB | 7.04225 |
289 | 1LSS | NAD | 7.14286 |
290 | 5Z3I | ADE | 7.16981 |
291 | 4R1S | NAP | 7.26644 |
292 | 1RKX | NAD | 7.26644 |
293 | 5WXU | FLC | 7.26644 |
294 | 2VDY | HCY | 7.26644 |
295 | 5XVH | NAP | 7.26644 |
296 | 5F7J | ADE | 7.26644 |
297 | 3ET1 | ET1 | 7.26644 |
298 | 3KP6 | SAL | 7.28477 |
299 | 3AY6 | BGC | 7.43494 |
300 | 3AY6 | NAI | 7.43494 |
301 | 1ORR | NAD | 7.4928 |
302 | 5L95 | AMP | 7.5 |
303 | 5XWV | 8H6 | 7.61246 |
304 | 5XWV | NDP | 7.61246 |
305 | 1J78 | OLA | 7.61246 |
306 | 2C5S | AMP | 7.61246 |
307 | 2AGC | DAO | 7.61246 |
308 | 3LKZ | SFG | 7.61246 |
309 | 3BAZ | NAP | 7.61246 |
310 | 5N1X | 8HH | 7.62712 |
311 | 1ZQ9 | SAM | 7.7193 |
312 | 4XZ3 | COA | 7.82609 |
313 | 4GLL | NAD | 7.95848 |
314 | 5BJX | NAD | 7.95848 |
315 | 5BJX | UDP | 7.95848 |
316 | 1ZOY | UQ1 | 7.95848 |
317 | 3GGO | NAI | 7.95848 |
318 | 1PJS | NAD | 7.95848 |
319 | 3CIF | NAD | 7.95848 |
320 | 3CIF | G3H | 7.95848 |
321 | 3VPH | NAD | 7.95848 |
322 | 4J1Q | NDP | 7.95848 |
323 | 5EY0 | GTP | 8.0292 |
324 | 1RPN | NDP | 8.0597 |
325 | 5DHU | 5A8 | 8.08823 |
326 | 1T0S | BML | 8.13953 |
327 | 5OVK | NDP | 8.20312 |
328 | 5XQL | C2E | 8.3045 |
329 | 1SB8 | UD2 | 8.3045 |
330 | 1SB8 | NAD | 8.3045 |
331 | 5TC4 | NAD | 8.3045 |
332 | 2BJ4 | OHT | 8.33333 |
333 | 5YEC | ATP | 8.40336 |
334 | 1GEE | NAD | 8.42912 |
335 | 1NYT | NAP | 8.48709 |
336 | 5YSS | NAD | 8.59375 |
337 | 4Y9D | NAI | 8.65052 |
338 | 1Y1P | NMN AMP PO4 | 8.65052 |
339 | 5L4L | NAP | 8.65052 |
340 | 5L4L | 7OX | 8.65052 |
341 | 6DNT | NAD | 8.65052 |
342 | 4TV1 | 36M | 8.76494 |
343 | 2V6G | NAP | 8.99654 |
344 | 4D3F | NAP | 8.99654 |
345 | 1BW9 | NAD | 8.99654 |
346 | 5Y1G | NAD | 8.99654 |
347 | 5Y1G | AKB | 8.99654 |
348 | 4EUE | NAI | 8.99654 |
349 | 2XVM | SAH | 9.04523 |
350 | 5XK9 | GST | 9.05172 |
351 | 6C4N | NAP | 9.1314 |
352 | 6GR0 | F8W | 9.1954 |
353 | 4Y8D | 49J | 9.28571 |
354 | 2PZM | UDP | 9.34256 |
355 | 2PZM | NAD | 9.34256 |
356 | 5KVS | NAP | 9.34256 |
357 | 2FT0 | ACO | 9.3617 |
358 | 1EYQ | NAR | 9.45946 |
359 | 4IRP | UDP | 9.56175 |
360 | 3WMX | NAD | 9.68858 |
361 | 1E5Q | NDP | 10.0346 |
362 | 6CB2 | OLC | 10.0346 |
363 | 2Q1S | NAI | 10.0346 |
364 | 5UAV | TFB | 10.0346 |
365 | 5UAV | NDP | 10.0346 |
366 | 6BVI | EC4 | 10.3806 |
367 | 6BVL | EBY | 10.3806 |
368 | 6BVJ | EAS | 10.3806 |
369 | 1LDM | NAD | 10.3806 |
370 | 1UDB | UFG | 10.3806 |
371 | 1UDB | NAD | 10.3806 |
372 | 1RJD | SAM | 10.7266 |
373 | 3ORF | NAD | 10.757 |
374 | 4RF2 | NAP | 11.0294 |
375 | 5ZZ6 | ADP | 11.0577 |
376 | 5ZZ6 | NAD | 11.0577 |
377 | 5JJR | SAH | 11.0727 |
378 | 2C5A | GDC | 11.4187 |
379 | 2C5A | NAD | 11.4187 |
380 | 1SOW | NAD | 11.4187 |
381 | 4PLT | NAI | 11.4804 |
382 | 4PLT | OXM | 11.4804 |
383 | 3O26 | NDP | 11.5756 |
384 | 2DTX | BMA | 11.7424 |
385 | 4Z0H | NAD | 12.1107 |
386 | 3SJU | NDP | 12.1864 |
387 | 4ZA2 | NAD | 12.253 |
388 | 1PU7 | 39A | 12.3853 |
389 | 5WQP | NAP | 12.3932 |
390 | 5WQP | NCA | 12.3932 |
391 | 4HXY | NDP | 12.4567 |
392 | 5ZEC | NAP | 12.8028 |
393 | 1H5Q | NAP | 12.8302 |
394 | 3BOF | HCS | 13.1488 |
395 | 2QQC | AG2 | 13.2075 |
396 | 1U7T | TDT | 13.41 |
397 | 1U7T | NAD | 13.41 |
398 | 1GZ6 | NAI | 13.4948 |
399 | 2Q1W | NAD | 13.4948 |
400 | 3KB6 | NAD | 13.4948 |
401 | 3N7S | 3N7 | 13.5417 |
402 | 2HMT | NAI | 13.8889 |
403 | 2PSM | BAM | 14.1026 |
404 | 2D5X | L35 | 14.1844 |
405 | 5I8F | ML1 | 14.5455 |
406 | 6MJ7 | ARG | 14.5455 |
407 | 3RV5 | DXC | 14.6067 |
408 | 2YLD | CMO | 14.9606 |
409 | 5L4S | 6KX | 15.2249 |
410 | 5L4S | NAP | 15.2249 |
411 | 2DKN | NAI | 15.2941 |
412 | 5L53 | NAP | 15.5709 |
413 | 4LIK | CIT | 15.5709 |
414 | 5W7K | SAH | 15.5709 |
415 | 3GFB | NAD | 15.5709 |
416 | 6CI9 | NAP | 15.8301 |
417 | 1W8D | NAP | 15.917 |
418 | 1W73 | NAP | 15.917 |
419 | 1MXH | DHF | 15.942 |
420 | 1MXH | NAP | 15.942 |
421 | 3VZS | NAP | 15.9533 |
422 | 3VZS | CAA | 15.9533 |
423 | 2RH4 | EMO | 16.2455 |
424 | 4NBW | NAD | 16.3424 |
425 | 1W6U | NAP | 16.609 |
426 | 1GEG | NAD | 17.1875 |
427 | 3NUG | NAD | 17.4089 |
428 | 5Z2L | NDP | 17.551 |
429 | 5GWT | NAD | 17.9856 |
430 | 5GWT | SIN | 17.9856 |
431 | 1UZN | NAP | 18.2186 |
432 | 6AA8 | NAD | 18.3391 |
433 | 5LWY | OLB | 18.6916 |
434 | 3H4V | DVP | 19.0972 |
435 | 3H4V | NAP | 19.0972 |
436 | 4JP3 | CIT | 19.6653 |
437 | 5Z75 | NAD | 20.0692 |
438 | 4YSX | EPH | 20.2128 |
439 | 3TN7 | NJP | 20.2335 |
440 | 2Y69 | CHD | 20.2703 |
441 | 5Z84 | CHD | 20.5479 |
442 | 5W97 | CHD | 20.5479 |
443 | 5ZCO | CHD | 20.5479 |
444 | 2AE2 | NAP | 20.7692 |
445 | 2AE2 | PTO | 20.7692 |
446 | 3RJ5 | NAD | 20.8661 |
447 | 3SJ7 | NDP | 21.4286 |
448 | 1ZK4 | NAP | 21.5139 |
449 | 1ZK4 | AC0 | 21.5139 |
450 | 1G0N | PHH | 21.5548 |
451 | 1G0N | NDP | 21.5548 |
452 | 2CFC | NAD | 22.8 |
453 | 2Q2V | NAD | 23.1373 |
454 | 5FFF | 5XC | 23.3463 |
455 | 5FFF | NAP | 23.3463 |
456 | 3ZV6 | 4HB | 23.4875 |
457 | 3ZV6 | NAD | 23.4875 |
458 | 2EWM | NAD | 23.6948 |
459 | 3HB5 | NAP | 23.8754 |
460 | 1A27 | NAP | 23.8754 |
461 | 3HB5 | E2B | 23.8754 |
462 | 1O5I | NAD | 24.0964 |
463 | 1AE1 | NAP | 24.5421 |
464 | 1SNY | NAP | 24.5675 |
465 | 1PR9 | NAP | 24.9135 |
466 | 5O98 | NAP | 25.6055 |
467 | 1BDB | NAD | 25.9928 |
468 | 4K26 | SFF | 26.087 |
469 | 4K26 | NDP | 26.087 |
470 | 2JAH | NDP | 26.3158 |
471 | 4OGQ | UMQ | 26.4706 |
472 | 5OJI | NAP | 26.9231 |
473 | 5OJI | ISN | 26.9231 |
474 | 5G4L | NDP | 27.2727 |
475 | 1FK8 | NAD | 27.6265 |
476 | 3D3W | NAP | 27.8689 |
477 | 2JAP | NDP | 27.9352 |
478 | 6F9Q | NAD | 28.3088 |
479 | 5EPO | TUD | 28.626 |
480 | 5EPO | NAP | 28.626 |
481 | 3ICC | NAP | 29.0196 |
482 | 3WXB | NDP | 29.0657 |
483 | 2GDZ | NAD | 29.0657 |
484 | 5O42 | 9JW | 29.927 |
485 | 5O42 | NAD | 29.927 |
486 | 5O42 | BGC | 29.927 |
487 | 2ZAT | NAP | 30 |
488 | 1ZEM | NAD | 30.1527 |
489 | 5WUW | NAP | 30.3136 |
490 | 1XSE | NDP | 31.1419 |
491 | 5B4T | NAD | 31.5385 |
492 | 5B4T | 3HR | 31.5385 |
493 | 4O0L | NDP | 31.6364 |
494 | 2BGM | NAJ | 31.6547 |
495 | 3AFN | NAP | 31.7829 |
496 | 3A28 | NAD | 32.5581 |
497 | 1XKQ | NDP | 32.8571 |
498 | 3CH6 | NAP | 33.5664 |
499 | 3CH6 | 311 | 33.5664 |
500 | 4YAG | NAI | 33.91 |
501 | 3RKR | NAP | 33.9695 |
502 | 4FC7 | NAP | 35.2941 |
503 | 4FC7 | COA | 35.2941 |
504 | 4FN4 | NAD | 35.4331 |
505 | 1IY8 | NAD | 35.5805 |
506 | 2VZ0 | D64 | 37.0242 |
507 | 2VZ0 | NAP | 37.0242 |
508 | 2WD7 | NAP | 37.0242 |
509 | 4QED | NAP | 38.3064 |
510 | 1YXM | ADE | 38.7543 |
511 | 2B4Q | NAP | 39.4928 |
512 | 4CQM | NAP | 39.7541 |
513 | 4KWI | 1TJ | 40.6844 |
514 | 4KWI | NAP | 40.6844 |
515 | 4URF | NAD | 40.7258 |
516 | 1HDC | CBO | 40.9449 |
517 | 5EJ2 | NAD | 41.1765 |
518 | 3QWI | CUE | 41.4815 |
519 | 3QWI | NAP | 41.4815 |
520 | 5FEU | NAP | 41.8685 |
521 | 1VL8 | NAP | 42.3221 |
522 | 3JQF | NAP | 43.2526 |
523 | 3JQG | NAP | 43.2526 |
524 | 5JDI | NAP | 43.4028 |
525 | 4CM8 | NAP | 43.4028 |
526 | 3JQB | NAP | 43.4028 |
527 | 3JQ8 | NAP | 43.4028 |
528 | 5JCJ | NAP | 43.4028 |
529 | 4CLO | NAP | 43.4028 |
530 | 4CME | NAP | 43.4028 |
531 | 3JQ7 | NAP | 43.4028 |
532 | 5K6A | NAP | 43.4028 |
533 | 3BMQ | AX5 | 43.4028 |
534 | 3BMO | AX4 | 43.4028 |
535 | 4CM9 | NAP | 43.4028 |
536 | 4CLR | NAP | 43.4028 |
537 | 5JDC | NAP | 43.4028 |
538 | 4CMI | NAP | 43.4028 |
539 | 3BMO | NAP | 43.4028 |
540 | 3JQA | NAP | 43.4028 |
541 | 3BMQ | NAP | 43.4028 |
542 | 4CM4 | NAP | 43.4028 |
543 | 3JQ9 | NAP | 43.4028 |
544 | 3BMN | NAP | 43.4028 |
545 | 1X1T | NAD | 43.8462 |
546 | 4NBU | NAI | 44.4 |
547 | 1Q7B | NAP | 44.6721 |
548 | 5T2U | NAP | 45.1613 |
549 | 2AG5 | NAD | 45.5285 |
550 | 1XHL | NDP | 45.6747 |
551 | 3O03 | NAP | 46.0208 |
552 | 4ITU | 1HS | 46.0967 |
553 | 4ITU | NAI | 46.0967 |
554 | 3U4C | NDP | 46.2633 |
555 | 5THQ | NDP | 47.7941 |
This union binding pocket(no: 2) in the query (biounit: 4ohu.bio1) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2VWA | PTY | None |
2 | 4OAR | 2S0 | 1.16279 |
3 | 6FBA | D48 | 1.7301 |
4 | 5V03 | 658 | 2.01342 |
5 | 3BP1 | GUN | 2.07612 |
6 | 6HKE | LMR | 2.07612 |
7 | 1J0X | NAD | 2.07612 |
8 | 1T0I | FMN | 2.09424 |
9 | 5ME4 | HP4 | 2.18978 |
10 | 6BR8 | PGV | 2.38095 |
11 | 1P72 | THM | 2.42215 |
12 | 5AZC | PGT | 2.42215 |
13 | 1K3A | ACP | 2.42215 |
14 | 3L4S | NAD | 2.42215 |
15 | 3L4S | 3PG | 2.42215 |
16 | 4G86 | BNT | 2.46479 |
17 | 5DMM | HCS | 2.76817 |
18 | 1MJT | ITU | 2.76817 |
19 | 4K10 | NI9 | 2.76817 |
20 | 1FM9 | 9CR | 2.94118 |
21 | 2F5X | ASP | 3.11419 |
22 | 1NLU | IVA PHI TYB | 3.11419 |
23 | 5DBX | ANP | 3.11419 |
24 | 5FPN | KYD | 3.11419 |
25 | 2ZBA | ZBA | 3.11419 |
26 | 5FUS | DAO | 3.13589 |
27 | 5O96 | SAM | 3.26531 |
28 | 4IMO | PWZ | 3.40909 |
29 | 5AOV | GLV | 3.46021 |
30 | 3R75 | PYR | 3.46021 |
31 | 3B96 | MYA | 3.46021 |
32 | 2QYK | NPV | 3.46021 |
33 | 1SU2 | ATP | 3.77358 |
34 | 3A51 | VDY | 3.80623 |
35 | 3EHG | ATP | 3.90625 |
36 | 1H82 | GZZ | 4.15225 |
37 | 1H82 | FAD | 4.15225 |
38 | 2OKL | BB2 | 4.32432 |
39 | 5TVI | O8N | 4.34783 |
40 | 1OPB | RET | 4.47761 |
41 | 2D7I | UDP | 4.49827 |
42 | 1YRE | COA | 4.49827 |
43 | 2IXE | ATP | 4.49827 |
44 | 3P9T | TCL | 4.56621 |
45 | 3B6C | SDN | 4.70085 |
46 | 1Q19 | APC | 4.84429 |
47 | 4WES | HCA | 4.84429 |
48 | 5OWC | AYZ | 4.91803 |
49 | 5T0B | SIA GAL NAG | 5 |
50 | 2OWZ | CIT |