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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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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 13 families. | |||||
1 | 1QW8 | - | XYP AHR | n/a | n/a |
2 | 1QW9 | - | KHP | C11 H13 N O7 | c1cc(ccc1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 9 families. | |||||
1 | 2VRQ | - | XYP XYP AHR | n/a | n/a |
2 | 3UG5 | - | XYP | C5 H10 O5 | C1[C@H]([C.... |
3 | 3UG4 | - | AHR | C5 H10 O5 | C([C@H]1[C.... |
4 | 1QW9 | - | KHP | C11 H13 N O7 | c1cc(ccc1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | KHP | 1 | 1 |
2 | GLA NPO | 0.895833 | 0.924528 |
3 | 147 | 0.895833 | 0.924528 |
4 | PNA | 0.895833 | 0.924528 |
5 | PNG | 0.895833 | 0.924528 |
6 | NBZ GLA | 0.895833 | 0.924528 |
7 | MBE | 0.895833 | 0.924528 |
8 | PNW | 0.895833 | 0.924528 |
9 | PNJ | 0.709091 | 0.844828 |
10 | NGB | 0.677419 | 0.890909 |
11 | NPJ | 0.677419 | 0.890909 |
12 | RCB | 0.65625 | 0.890909 |
13 | NSQ | 0.655172 | 0.681159 |
14 | LEC | 0.59375 | 0.777778 |
15 | 6ZC | 0.59375 | 0.777778 |
16 | JFZ | 0.589286 | 0.777778 |
17 | GAA | 0.583333 | 0.907407 |
18 | C3G | 0.55 | 0.763636 |
19 | GAT | 0.545455 | 0.654545 |
20 | XTG | 0.535211 | 0.8 |
21 | A2G NPO GAL | 0.534247 | 0.753846 |
22 | 3XN | 0.527027 | 0.809524 |
23 | LAM | 0.5125 | 0.844828 |
24 | 6Y2 | 0.493506 | 0.742424 |
25 | LEC NGA | 0.493506 | 0.742424 |
26 | M2F | 0.463768 | 0.777778 |
27 | NFG | 0.463768 | 0.777778 |
28 | 145 | 0.461538 | 0.890909 |
29 | BDP NPO NDG BDP NDG | 0.44086 | 0.742424 |
30 | BDP NPO GNS BDP GNS BDP GNS | 0.44086 | 0.644737 |
31 | BDP NPO GNS BDP | 0.430108 | 0.631579 |
32 | XYS NPO XYS | 0.422535 | 0.839286 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | U55 | 0.9268 |
2 | QTJ | 0.9192 |
3 | TVC | 0.9172 |
4 | XYS XYS | 0.9136 |
5 | 5R9 | 0.9118 |
6 | 7FZ | 0.9083 |
7 | CWP | 0.9080 |
8 | GAL PHB | 0.9062 |
9 | MQS | 0.9059 |
10 | XYP XYP | 0.9059 |
11 | 5TU | 0.9044 |
12 | 6H2 | 0.9042 |
13 | EDG AHR | 0.9028 |
14 | 1UR | 0.9026 |
15 | NAR | 0.9025 |
16 | GJG | 0.9022 |
17 | 97K | 0.9020 |
18 | 5YA | 0.9010 |
19 | OUG | 0.8992 |
20 | 7ZO | 0.8985 |
21 | 1V0 | 0.8984 |
22 | 2OX | 0.8984 |
23 | 121 | 0.8974 |
24 | 40W | 0.8957 |
25 | 1FL | 0.8953 |
26 | 83D | 0.8941 |
27 | 6T5 | 0.8941 |
28 | R7T | 0.8939 |
29 | Q92 | 0.8936 |
30 | LZ4 | 0.8924 |
31 | 2UV | 0.8922 |
32 | EMU | 0.8902 |
33 | 5R8 | 0.8899 |
34 | U4J | 0.8896 |
35 | AHR AHR | 0.8895 |
36 | QTD | 0.8893 |
37 | 38E | 0.8893 |
38 | WCU | 0.8891 |
39 | 47X | 0.8888 |
40 | 1UZ | 0.8885 |
41 | 8UY | 0.8882 |
42 | MRE | 0.8881 |
43 | 8EU | 0.8877 |
44 | VIB | 0.8871 |
45 | JFS | 0.8869 |
46 | GVI | 0.8865 |
47 | MHB | 0.8864 |
48 | 72G | 0.8863 |
49 | LVY | 0.8843 |
50 | 0NJ | 0.8841 |
51 | IDZ | 0.8840 |
52 | TVZ | 0.8838 |
53 | F18 | 0.8834 |
54 | GAL NPO | 0.8831 |
55 | 0UL | 0.8823 |
56 | U13 | 0.8818 |
57 | BNY | 0.8809 |
58 | GNK | 0.8806 |
59 | 338 | 0.8801 |
60 | J2N | 0.8801 |
61 | 802 | 0.8801 |
62 | FQP | 0.8799 |
63 | G1L | 0.8795 |
64 | FT1 | 0.8783 |
65 | 797 | 0.8782 |
66 | BGK | 0.8773 |
67 | FT3 | 0.8770 |
68 | FLF | 0.8768 |
69 | AWE | 0.8764 |
70 | ESJ | 0.8761 |
71 | 9JH | 0.8760 |
72 | 4FC | 0.8758 |
73 | 8OE | 0.8756 |
74 | OUA | 0.8753 |
75 | MQR | 0.8752 |
76 | 7W7 | 0.8752 |
77 | PRH | 0.8751 |
78 | G8V | 0.8751 |
79 | DIH | 0.8748 |
80 | 2L1 | 0.8748 |
81 | 1Q1 | 0.8748 |
82 | 4MP | 0.8748 |
83 | A64 | 0.8741 |
84 | NXB | 0.8736 |
85 | 1V8 | 0.8733 |
86 | A05 | 0.8729 |
87 | 3D1 | 0.8728 |
88 | TCL | 0.8728 |
89 | TCT | 0.8726 |
90 | 1UT | 0.8725 |
91 | UKW | 0.8725 |
92 | MZR | 0.8722 |
93 | LJ5 | 0.8721 |
94 | A26 | 0.8720 |
95 | PW5 | 0.8720 |
96 | BX4 | 0.8719 |
97 | A63 | 0.8719 |
98 | 6MD | 0.8718 |
99 | 833 | 0.8714 |
100 | J5Z | 0.8705 |
101 | FBC | 0.8705 |
102 | AD6 | 0.8705 |
103 | BMC | 0.8699 |
104 | 8E3 | 0.8693 |
105 | NPS | 0.8689 |
106 | NU3 | 0.8687 |
107 | JE7 | 0.8687 |
108 | OUL | 0.8686 |
109 | 4AF | 0.8684 |
110 | FT2 | 0.8681 |
111 | LOX XYP | 0.8681 |
112 | M2E | 0.8677 |
113 | ERZ | 0.8675 |
114 | F91 | 0.8675 |
115 | 56N | 0.8674 |
116 | Q2S | 0.8672 |
117 | DGO Z61 | 0.8671 |
118 | XYP XYS | 0.8669 |
119 | HPX | 0.8668 |
120 | LVP | 0.8667 |
121 | JON | 0.8657 |
122 | 7EH | 0.8646 |
123 | FCW | 0.8642 |
124 | KVW | 0.8640 |
125 | 536 | 0.8639 |
126 | S1C | 0.8639 |
127 | WDW | 0.8638 |
128 | JVD | 0.8629 |
129 | BTN | 0.8624 |
130 | 9VQ | 0.8624 |
131 | 5CX | 0.8622 |
132 | 7WD | 0.8621 |
133 | Q8G | 0.8610 |
134 | JVB | 0.8608 |
135 | 8OB | 0.8607 |
136 | 5S9 | 0.8606 |
137 | 0OM | 0.8599 |
138 | JZ8 | 0.8597 |
139 | 28A | 0.8596 |
140 | DCN | 0.8595 |
141 | 0MB | 0.8593 |
142 | 0K7 | 0.8593 |
143 | 14N | 0.8588 |
144 | 5WW | 0.8587 |
145 | C0V | 0.8586 |
146 | ADN | 0.8585 |
147 | A9B | 0.8578 |
148 | VBC | 0.8572 |
149 | IMK | 0.8571 |
150 | C1Y | 0.8569 |
151 | CX5 | 0.8568 |
152 | AYS | 0.8567 |
153 | 9W7 | 0.8566 |
154 | JSX | 0.8565 |
155 | 5AD | 0.8559 |
156 | J45 | 0.8553 |
157 | ZEA | 0.8552 |
158 | 9K2 | 0.8551 |
159 | 1KN | 0.8549 |
160 | HGK | 0.8549 |
161 | 7NU | 0.8539 |
162 | AUY | 0.8539 |
163 | FB4 | 0.8536 |
164 | D9T | 0.8525 |
165 | S1D | 0.8524 |
166 | 4K2 | 0.8517 |
167 | EAT | 0.8514 |
168 | EQW | 0.8512 |
169 | UV4 | 0.8507 |
This union binding pocket(no: 1) in the query (biounit: 1qw9.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1qw9.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1qw9.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 1qw9.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 1qw9.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 1qw9.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |