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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 21 families. | |||||
1 | 6T2I | - | JFM | C9 H13 N O2 S | CS(=O)(=O).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 21 families. | |||||
1 | 6T2I | - | JFM | C9 H13 N O2 S | CS(=O)(=O).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | JFM | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 1PS | 0.9986 |
2 | TZP | 0.9513 |
3 | 5LD | 0.9396 |
4 | SB7 | 0.9346 |
5 | 5PV | 0.9309 |
6 | AHN | 0.9260 |
7 | PBN | 0.9259 |
8 | 3GZ | 0.9257 |
9 | 4ZD | 0.9247 |
10 | 3H2 | 0.9217 |
11 | LL2 | 0.9210 |
12 | S8G | 0.9189 |
13 | A5P | 0.9187 |
14 | D53 | 0.9173 |
15 | KPA | 0.9164 |
16 | PHE | 0.9157 |
17 | SB9 | 0.9157 |
18 | 4TB | 0.9137 |
19 | XRX | 0.9131 |
20 | DPN | 0.9120 |
21 | Q04 | 0.9113 |
22 | DXP | 0.9111 |
23 | 6HN | 0.9109 |
24 | FOM | 0.9108 |
25 | DER | 0.9098 |
26 | KPC | 0.9096 |
27 | ARG | 0.9082 |
28 | XRS | 0.9078 |
29 | M6H | 0.9065 |
30 | S7G | 0.9057 |
31 | 5RP | 0.9050 |
32 | M5E | 0.9047 |
33 | F98 | 0.9040 |
34 | 5DL | 0.9036 |
35 | OJD | 0.9035 |
36 | HCI | 0.9033 |
37 | Q06 | 0.9030 |
38 | 4YZ | 0.9028 |
39 | 4TP | 0.9020 |
40 | PRO GLY | 0.9014 |
41 | JZA | 0.9014 |
42 | DEZ | 0.9013 |
43 | S7A | 0.9010 |
44 | MES | 0.9009 |
45 | LVD | 0.9003 |
46 | KPV | 0.8997 |
47 | BZQ | 0.8993 |
48 | 11X | 0.8991 |
49 | KYN | 0.8989 |
50 | LX1 | 0.8980 |
51 | 5SP | 0.8969 |
52 | ENW | 0.8965 |
53 | 27L | 0.8961 |
54 | 3QO | 0.8951 |
55 | 2JJ | 0.8946 |
56 | DX5 | 0.8945 |
57 | 5OY | 0.8945 |
58 | J0Z | 0.8938 |
59 | 0OL | 0.8931 |
60 | QFJ | 0.8930 |
61 | RGP | 0.8924 |
62 | TPM | 0.8923 |
63 | TX4 | 0.8919 |
64 | PMV | 0.8914 |
65 | HSX | 0.8911 |
66 | 6J5 | 0.8901 |
67 | TZM | 0.8885 |
68 | PRA | 0.8883 |
69 | 0QA | 0.8877 |
70 | YIP | 0.8876 |
71 | 4BX | 0.8875 |
72 | API | 0.8867 |
73 | GVA | 0.8865 |
74 | HSA | 0.8855 |
75 | 1BN | 0.8854 |
76 | E4P | 0.8853 |
77 | XI7 | 0.8850 |
78 | Z70 | 0.8847 |
79 | R5P | 0.8842 |
80 | RP3 | 0.8830 |
81 | HMS | 0.8826 |
82 | DXG | 0.8823 |
83 | 4FP | 0.8823 |
84 | GLR | 0.8821 |
85 | 2NP | 0.8815 |
86 | 3VW | 0.8809 |
87 | R10 | 0.8808 |
88 | D4G | 0.8805 |
89 | S7D | 0.8803 |
90 | J4K | 0.8801 |
91 | OOG | 0.8788 |
92 | 56D | 0.8784 |
93 | YIH | 0.8781 |
94 | AHC | 0.8780 |
95 | 6FG | 0.8779 |
96 | 6HO | 0.8773 |
97 | GGB | 0.8773 |
98 | NBB | 0.8772 |
99 | HAR | 0.8770 |
100 | DI9 | 0.8766 |
101 | RDV | 0.8763 |
102 | 5O5 | 0.8762 |
103 | MD6 | 0.8757 |
104 | M75 | 0.8755 |
105 | PBA | 0.8755 |
106 | 0OY | 0.8749 |
107 | TOH | 0.8747 |
108 | JPQ | 0.8737 |
109 | M5B | 0.8731 |
110 | 36M | 0.8729 |
111 | M5P | 0.8728 |
112 | PA5 | 0.8718 |
113 | NFZ | 0.8716 |
114 | NNH | 0.8715 |
115 | SG3 | 0.8712 |
116 | BPW | 0.8710 |
117 | RA7 | 0.8704 |
118 | 7Y3 | 0.8691 |
119 | D2G | 0.8689 |
120 | 1HS | 0.8688 |
121 | N4B | 0.8686 |
122 | MZM | 0.8670 |
123 | ENV | 0.8659 |
124 | IVL | 0.8653 |
125 | HJD | 0.8628 |
126 | S0B | 0.8627 |
127 | RES | 0.8604 |
128 | QBM | 0.8589 |
129 | HPP | 0.8570 |
130 | YTZ | 0.8569 |
131 | YPN | 0.8568 |
132 | 0L1 | 0.8567 |
133 | 650 | 0.8546 |
134 | ISA | 0.8517 |
This union binding pocket(no: 1) in the query (biounit: 6t2i.bio1) has 6 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |