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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 28 families. | |||||
1 | 5DRP | - | 5EP | C23 H23 N3 O3 | CC[C@H](C).... |
2 | 4U3D | - | 3BX | C26 H30 N2 O5 | c1cc(ccc1C.... |
3 | 5U86 | - | 81V | C25 H27 F2 N3 O5 | C[C@]([C@@.... |
4 | 4U3B | - | 3BW | C19 H20 Cl N O4 S | c1cc(ccc1O.... |
5 | 5DRO | - | ZH2 | C21 H19 N3 O4 | C[C@H]([C@.... |
6 | 2J65 | - | MYR | C14 H28 O2 | CCCCCCCCCC.... |
7 | 3P3C | - | 3P3 | C21 H18 N2 O4 | C[C@H]([C@.... |
8 | 1P42 | - | MYR | C14 H28 O2 | CCCCCCCCCC.... |
9 | 3P76 | - | P76 | C24 H27 N3 O4 | C[C@H]([C@.... |
10 | 2O3Z | Kd = 2 uM | AI7 | C14 H20 O3 | CCCCCCCOc1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 18 families. | |||||
1 | 3UHM | ic50 = 3.6 nM | RFN | C17 H20 N2 O5 S | C[C@@](CCN.... |
2 | 4LCH | - | 1WN | C27 H23 N3 O5 | C[C@](c1cc.... |
3 | 5U3B | ic50 = 1.5 nM | 7TD | C16 H21 N3 O4 | CC#CCOc1cc.... |
4 | 6MO5 | ic50 = 0.3 nM | JWP | C22 H26 N2 O7 S | CC(C)([C@@.... |
5 | 4J3D | ic50 = 4.4 nM | 1JS | C23 H25 N3 O5 | c1ccc(cc1).... |
6 | 2VES | - | GVR | C23 H20 N2 O4 S | c1ccc2cc(c.... |
7 | 5DRR | - | 5EN | C22 H19 F2 N3 O4 | C[C@]([C@@.... |
8 | 4LCG | - | 1WM | C26 H21 N3 O5 | c1cc(ccc1C.... |
9 | 3P3E | - | 3P3 | C21 H18 N2 O4 | C[C@H]([C@.... |
10 | 6MO4 | ic50 = 4.6 nM | JWM | C19 H22 N2 O6 S | CC(C)([C@@.... |
11 | 5N8C | - | 8Q8 | C27 H31 N5 O3 | CC(C)([C@@.... |
12 | 5DRQ | - | 5EM | C22 H22 N4 O3 | CC(C)([C@@.... |
13 | 5U39 | - | C90 | C24 H27 N3 O5 | C[C@H]([C@.... |
14 | 3U1Y | ic50 = 2.13 nM | 03I | C25 H34 N2 O6 S | C[C@@](CCc.... |
15 | 6MOO | ic50 = 19 nM | A5F | C20 H23 N3 O4 | CC(C)([C@@.... |
16 | 4LCF | - | 1WL | C23 H19 N5 O3 | c1cc(ccc1C.... |
17 | 6MAE | Kd = 0.065 nM | JBA | C19 H22 N2 O6 S | C[C@@](C[C.... |
18 | 6MOD | ic50 = 0.71 nM | JWV | C19 H20 N2 O7 S | COC1(CS(=O.... |
19 | 5DRP | - | 5EP | C23 H23 N3 O3 | CC[C@H](C).... |
20 | 4U3D | - | 3BX | C26 H30 N2 O5 | c1cc(ccc1C.... |
21 | 5U86 | - | 81V | C25 H27 F2 N3 O5 | C[C@]([C@@.... |
22 | 4U3B | - | 3BW | C19 H20 Cl N O4 S | c1cc(ccc1O.... |
23 | 5DRO | - | ZH2 | C21 H19 N3 O4 | C[C@H]([C@.... |
24 | 2J65 | - | MYR | C14 H28 O2 | CCCCCCCCCC.... |
25 | 3P3C | - | 3P3 | C21 H18 N2 O4 | C[C@H]([C@.... |
26 | 1P42 | - | MYR | C14 H28 O2 | CCCCCCCCCC.... |
27 | 3P76 | - | P76 | C24 H27 N3 O4 | C[C@H]([C@.... |
28 | 2O3Z | Kd = 2 uM | AI7 | C14 H20 O3 | CCCCCCCOc1.... |
29 | 3NZK | Ki = 0.54 nM | C90 | C24 H27 N3 O5 | C[C@H]([C@.... |
30 | 4MQY | - | UKW | C13 H12 N2 O4 | C[C@H]([C@.... |
31 | 4IS9 | - | LTF | C15 H20 N2 O5 | CCCc1cc(cc.... |
32 | 3PS1 | - | UKW | C13 H12 N2 O4 | C[C@H]([C@.... |
33 | 4ISA | - | GVR | C23 H20 N2 O4 S | c1ccc2cc(c.... |
34 | 3P3G | Ki = 0.18 nM | 3P3 | C21 H18 N2 O4 | C[C@H]([C@.... |
35 | 3PS2 | - | UKW | C13 H12 N2 O4 | C[C@H]([C@.... |
36 | 3PS3 | - | L53 | C21 H17 N3 O4 | C[C@@H]([C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | MYR | 1 | 1 |
2 | KNA | 1 | 1 |
3 | X90 | 1 | 1 |
4 | 11A | 1 | 1 |
5 | F23 | 1 | 1 |
6 | DKA | 1 | 1 |
7 | DCR | 1 | 1 |
8 | PLM | 1 | 1 |
9 | TDA | 1 | 1 |
10 | EW8 | 1 | 1 |
11 | STE | 1 | 1 |
12 | DAO | 1 | 1 |
13 | F15 | 1 | 1 |
14 | OCA | 0.956522 | 1 |
15 | SHV | 0.833333 | 0.952381 |
16 | KTC | 0.793103 | 0.875 |
17 | AZ1 | 0.73913 | 0.64 |
18 | 6NA | 0.72 | 0.904762 |
19 | NER | 0.71875 | 0.954545 |
20 | OLA | 0.71875 | 0.954545 |
21 | ELA | 0.71875 | 0.954545 |
22 | PAM | 0.666667 | 0.954545 |
23 | VCA | 0.666667 | 0.954545 |
24 | PML | 0.625 | 0.6 |
25 | 3LA | 0.606061 | 0.8 |
26 | LEA | 0.6 | 0.809524 |
27 | MYZ | 0.588235 | 0.909091 |
28 | 12H | 0.586207 | 0.615385 |
29 | ODD | 0.567568 | 0.913043 |
30 | BRC | 0.566667 | 0.666667 |
31 | 14V | 0.555556 | 0.740741 |
32 | M12 | 0.545455 | 0.869565 |
33 | 14U | 0.542857 | 0.703704 |
34 | EOD | 0.538462 | 0.7 |
35 | EIC | 0.538462 | 0.913043 |
36 | BNV | 0.5 | 0.954545 |
37 | BMJ | 0.5 | 0.954545 |
38 | D0G | 0.5 | 0.954545 |
39 | BUA | 0.48 | 0.666667 |
40 | RCL | 0.468085 | 0.84 |
41 | HXD | 0.459459 | 0.807692 |
42 | 56S | 0.459459 | 0.653846 |
43 | FTT | 0.459459 | 0.807692 |
44 | ODT | 0.452381 | 0.782609 |
45 | 3X1 | 0.444444 | 0.818182 |
46 | LNL | 0.44186 | 0.826087 |
47 | OOA | 0.441176 | 0.76 |
48 | 9J6 | 0.441176 | 0.666667 |
49 | CUY | 0.435897 | 0.68 |
50 | CNS | 0.435897 | 0.68 |
51 | 6UL | 0.435897 | 0.68 |
52 | 5UF | 0.432432 | 0.807692 |
53 | 243 | 0.428571 | 0.807692 |
54 | GYM | 0.418605 | 0.606061 |
55 | 1QW | 0.418605 | 0.606061 |
56 | 1DO | 0.413793 | 0.75 |
57 | F09 | 0.413793 | 0.75 |
58 | DE1 | 0.413793 | 0.75 |
59 | O8N | 0.413793 | 0.75 |
60 | OC9 | 0.413793 | 0.75 |
61 | PL3 | 0.413793 | 0.75 |
62 | T25 | 0.403846 | 0.677419 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | UDP | 1 | 1 |
2 | UTP | 0.892308 | 1 |
3 | U5F | 0.878788 | 1 |
4 | UNP | 0.8 | 0.970149 |
5 | U5P | 0.78125 | 0.984615 |
6 | U | 0.78125 | 0.984615 |
7 | UPU | 0.72973 | 0.940298 |
8 | 2KH | 0.722222 | 0.970149 |
9 | 44P | 0.720588 | 0.955882 |
10 | GUD | 0.717949 | 0.941176 |
11 | UPG | 0.717949 | 0.941176 |
12 | URM | 0.717949 | 0.927536 |
13 | UFM | 0.717949 | 0.941176 |
14 | GDU | 0.717949 | 0.941176 |
15 | 660 | 0.717949 | 0.927536 |
16 | UDP UDP | 0.714286 | 0.939394 |
17 | UPP | 0.705128 | 0.941176 |
18 | UDH | 0.705128 | 0.864865 |
19 | UFG | 0.691358 | 0.888889 |
20 | UPF | 0.691358 | 0.888889 |
21 | U2F | 0.691358 | 0.888889 |
22 | UAD | 0.670732 | 0.941176 |
23 | UDX | 0.670732 | 0.941176 |
24 | 3UC | 0.658824 | 0.888889 |
25 | USQ | 0.654762 | 0.820513 |
26 | UGA | 0.654762 | 0.955224 |
27 | UGB | 0.654762 | 0.955224 |
28 | G3N | 0.647059 | 0.914286 |
29 | UDM | 0.636364 | 0.914286 |
30 | URI | 0.625 | 0.863636 |
31 | UD2 | 0.622222 | 0.927536 |
32 | UD1 | 0.622222 | 0.927536 |
33 | Y6W | 0.607143 | 0.888889 |
34 | CDP | 0.605263 | 0.942029 |
35 | HP7 | 0.591398 | 0.941176 |
36 | UD7 | 0.591398 | 0.927536 |
37 | MJZ | 0.585106 | 0.914286 |
38 | IUG | 0.583333 | 0.810127 |
39 | F5G | 0.578947 | 0.927536 |
40 | 12V | 0.578947 | 0.901408 |
41 | UD4 | 0.578947 | 0.914286 |
42 | F5P | 0.578947 | 0.914286 |
43 | HWU | 0.578947 | 0.901408 |
44 | CJB | 0.573529 | 0.820895 |
45 | UDZ | 0.571429 | 0.853333 |
46 | DUD | 0.571429 | 0.913043 |
47 | UP5 | 0.571429 | 0.853333 |
48 | U U | 0.563218 | 0.955224 |
49 | EPZ | 0.56 | 0.914286 |
50 | 5GW | 0.559524 | 0.942029 |
51 | EPU | 0.554455 | 0.901408 |
52 | EEB | 0.554455 | 0.901408 |
53 | UA3 | 0.547945 | 0.939394 |
54 | U3P | 0.547945 | 0.939394 |
55 | 4TC | 0.544554 | 0.831169 |
56 | HF4 | 0.54321 | 0.942029 |
57 | CTP | 0.54321 | 0.942029 |
58 | CSQ | 0.531915 | 0.851351 |
59 | CSV | 0.531915 | 0.851351 |
60 | DUT | 0.52439 | 0.913043 |
61 | 4GW | 0.516484 | 0.915493 |
62 | UMA | 0.513761 | 0.914286 |
63 | U4S | 0.513158 | 0.753425 |
64 | U2P | 0.506667 | 0.954545 |
65 | U2S | 0.5 | 0.767123 |
66 | U3S | 0.5 | 0.753425 |
67 | PUP | 0.48913 | 0.913043 |
68 | U22 | 0.486957 | 0.790123 |
69 | U20 | 0.486957 | 0.810127 |
70 | U21 | 0.486957 | 0.810127 |
71 | DKX | 0.486486 | 0.746479 |
72 | 0RC | 0.482759 | 0.864865 |
73 | U1S | 0.482759 | 0.75 |
74 | A U | 0.481132 | 0.805195 |
75 | 2QR | 0.478632 | 0.822785 |
76 | 5FU | 0.474359 | 0.914286 |
77 | LSU | 0.472527 | 0.738095 |
78 | G U | 0.472222 | 0.7875 |
79 | 8OD | 0.47191 | 0.851351 |
80 | C5G | 0.468085 | 0.888889 |
81 | 7XL | 0.465909 | 0.888889 |
82 | UMF | 0.461538 | 0.857143 |
83 | U U U U | 0.461538 | 0.940298 |
84 | G8D | 0.460674 | 0.855263 |
85 | 2TM | 0.45977 | 0.902778 |
86 | UTP U U U | 0.456522 | 0.895522 |
87 | YSU | 0.453608 | 0.746988 |
88 | 2TU | 0.452055 | 0.774648 |
89 | 4RA | 0.451613 | 0.855263 |
90 | C2G | 0.450549 | 0.901408 |
91 | UMP | 0.45 | 0.898551 |
92 | CAR | 0.45 | 0.927536 |
93 | C | 0.45 | 0.927536 |
94 | DU | 0.45 | 0.898551 |
95 | C5P | 0.45 | 0.927536 |
96 | UAG | 0.448 | 0.864865 |
97 | CDC | 0.446809 | 0.777778 |
98 | 5BU | 0.444444 | 0.914286 |
99 | UD0 | 0.444444 | 0.844156 |
100 | UC5 | 0.440476 | 0.9 |
101 | N3E | 0.440476 | 0.733333 |
102 | UUA | 0.438356 | 0.772727 |
103 | DUP | 0.431818 | 0.887324 |
104 | 2GW | 0.431373 | 0.901408 |
105 | M7G | 0.430108 | 0.780488 |
106 | CNU | 0.428571 | 0.927536 |
107 | CDM | 0.427083 | 0.842105 |
108 | H6Y | 0.425532 | 0.851351 |
109 | 16B | 0.421687 | 0.888889 |
110 | S5P | 0.419753 | 0.915493 |
111 | 8GT | 0.419355 | 0.855263 |
112 | CXY | 0.418367 | 0.888889 |
113 | UPA | 0.418182 | 0.842105 |
114 | U2G | 0.410714 | 0.822785 |
115 | U A A U | 0.409836 | 0.842105 |
116 | UML | 0.408759 | 0.810127 |
117 | UP6 | 0.407407 | 0.871429 |
118 | M7M | 0.40625 | 0.771084 |
119 | 1GW | 0.40367 | 0.864865 |
120 | BMP | 0.402439 | 0.970149 |
121 | APU | 0.401786 | 0.828947 |
122 | PMP UD1 | 0.401575 | 0.7875 |
This union binding pocket(no: 1) in the query (biounit: 2o3z.bio3) has 33 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2o3z.bio1) has 68 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2o3z.bio1) has 68 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 2o3z.bio2) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 2o3z.bio2) has 33 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 2o3z.bio4) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |