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- Structure Biounit | Ligand Information
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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 9 families. | |||||
1 | 4OU4 | - | S2T | C10 H9 Cl O4 | CC(=O)O[C@.... |
2 | 4OB6 | - | S2T | C10 H9 Cl O4 | CC(=O)O[C@.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 8 families. | |||||
1 | 4OU4 | - | S2T | C10 H9 Cl O4 | CC(=O)O[C@.... |
2 | 4OB6 | - | S2T | C10 H9 Cl O4 | CC(=O)O[C@.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | S2T | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 6HX | 0.9328 |
2 | 791 | 0.9244 |
3 | CCB | 0.9169 |
4 | KJM | 0.9150 |
5 | OBP | 0.9132 |
6 | 87L | 0.9126 |
7 | ICT | 0.9117 |
8 | NV1 | 0.9080 |
9 | X6P | 0.9078 |
10 | 1L5 | 0.9049 |
11 | 1WC | 0.9046 |
12 | B2T | 0.9033 |
13 | B2Y | 0.9015 |
14 | 0GY | 0.9002 |
15 | CIT | 0.9000 |
16 | 6XI | 0.8998 |
17 | 256 | 0.8996 |
18 | 6W6 | 0.8989 |
19 | FLC | 0.8988 |
20 | NZ2 | 0.8986 |
21 | 6J9 | 0.8981 |
22 | 46P | 0.8974 |
23 | X11 | 0.8971 |
24 | WVV | 0.8959 |
25 | 3CR | 0.8955 |
26 | 2CG | 0.8953 |
27 | NZ3 | 0.8947 |
28 | NQM | 0.8945 |
29 | M72 | 0.8943 |
30 | JRB | 0.8941 |
31 | BPS | 0.8937 |
32 | 7QD | 0.8934 |
33 | 5VJ | 0.8930 |
34 | APG | 0.8926 |
35 | U2Z | 0.8917 |
36 | BCK | 0.8917 |
37 | ATH | 0.8911 |
38 | 7UZ | 0.8910 |
39 | LOG | 0.8909 |
40 | 5ZZ | 0.8905 |
41 | 2C0 | 0.8897 |
42 | L13 | 0.8896 |
43 | 1A7 | 0.8873 |
44 | B4O | 0.8869 |
45 | 40H | 0.8867 |
46 | T2D | 0.8857 |
47 | 787 | 0.8857 |
48 | GTC | 0.8856 |
49 | 49O | 0.8852 |
50 | AUV | 0.8851 |
51 | 89J | 0.8851 |
52 | 27L | 0.8847 |
53 | TT4 | 0.8842 |
54 | DHZ | 0.8841 |
55 | 9UL | 0.8836 |
56 | 56D | 0.8833 |
57 | PDC | 0.8830 |
58 | MIG | 0.8828 |
59 | MPK | 0.8821 |
60 | 0F9 | 0.8809 |
61 | F69 | 0.8807 |
62 | AVO | 0.8794 |
63 | BP3 | 0.8792 |
64 | 60Q | 0.8785 |
65 | XDK | 0.8785 |
66 | 0QW | 0.8785 |
67 | FCD | 0.8772 |
68 | BPY | 0.8770 |
69 | GN6 | 0.8767 |
70 | N6W | 0.8761 |
71 | MOK | 0.8758 |
72 | A9O | 0.8757 |
73 | 7Q1 | 0.8756 |
74 | XDE | 0.8754 |
75 | OIA | 0.8750 |
76 | GVG | 0.8749 |
77 | NLQ | 0.8745 |
78 | 3MF | 0.8733 |
79 | M5E | 0.8733 |
80 | 1PL | 0.8728 |
81 | 5F5 | 0.8728 |
82 | A29 | 0.8727 |
83 | 4WK | 0.8727 |
84 | AVA | 0.8723 |
85 | 15N | 0.8723 |
86 | 1FF | 0.8719 |
87 | 30G | 0.8715 |
88 | 9LI | 0.8715 |
89 | JF6 | 0.8713 |
90 | 1SF | 0.8713 |
91 | ALA LEU | 0.8707 |
92 | EAJ | 0.8707 |
93 | 92K | 0.8703 |
94 | NCD | 0.8703 |
95 | WSD | 0.8700 |
96 | NAG | 0.8700 |
97 | H70 | 0.8698 |
98 | TI7 | 0.8698 |
99 | NZ9 | 0.8696 |
100 | 1VK | 0.8694 |
101 | WOE | 0.8692 |
102 | KDF | 0.8690 |
103 | HHH | 0.8690 |
104 | 49N | 0.8690 |
105 | AVI | 0.8687 |
106 | 0UT | 0.8686 |
107 | 8VN | 0.8684 |
108 | BZE | 0.8680 |
109 | 7QS | 0.8679 |
110 | PQT | 0.8677 |
111 | A1Y | 0.8676 |
112 | LT8 | 0.8676 |
113 | J01 | 0.8675 |
114 | CTN | 0.8674 |
115 | CKX | 0.8666 |
116 | KAI | 0.8659 |
117 | 5AE | 0.8657 |
118 | HQJ | 0.8657 |
119 | RUY | 0.8656 |
120 | 7A3 | 0.8655 |
121 | 23J | 0.8650 |
122 | Z5P | 0.8649 |
123 | GLY LEU | 0.8647 |
124 | NHG | 0.8645 |
125 | PBQ | 0.8642 |
126 | 9X5 | 0.8641 |
127 | URD | 0.8640 |
128 | 2F6 | 0.8639 |
129 | BQ5 | 0.8637 |
130 | 5FL | 0.8633 |
131 | MIL | 0.8632 |
132 | CE2 | 0.8615 |
133 | MMN | 0.8612 |
134 | URI | 0.8612 |
135 | AOR | 0.8610 |
136 | 40F | 0.8609 |
137 | 4VY | 0.8603 |
138 | SMN | 0.8599 |
139 | 8VE | 0.8594 |
140 | NLA | 0.8594 |
141 | 7MX | 0.8585 |
142 | 5F8 | 0.8585 |
143 | KYN | 0.8585 |
144 | GDL | 0.8580 |
145 | RIS | 0.8577 |
146 | NFQ | 0.8576 |
147 | K48 | 0.8574 |
148 | GVQ | 0.8573 |
149 | 2BQ | 0.8572 |
150 | QUS | 0.8570 |
151 | 1OH | 0.8567 |
152 | U1K | 0.8558 |
153 | TRA | 0.8556 |
154 | 97T | 0.8548 |
155 | PYU | 0.8546 |
156 | TYU | 0.8546 |
157 | KTJ | 0.8543 |
158 | IAC | 0.8538 |
159 | F16 | 0.8535 |
160 | TVP | 0.8531 |
161 | MIC | 0.8523 |
162 | 2JM | 0.8521 |
This union binding pocket(no: 1) in the query (biounit: 4ob6.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4ob6.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4ob6.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 4ob6.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 4ob6.bio1) has 8 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 4ob6.bio1) has 8 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |