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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 18 families. | |||||
1 | 3EF0 | - | ALF | Al F4 | F[Al-](F)(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 13 families. | |||||
1 | 3EF0 | - | ALF | Al F4 | F[Al-](F)(.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ALF | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | NIS | 0.9746 |
2 | PYR | 0.9650 |
3 | OXM | 0.9628 |
4 | 5Y9 | 0.9610 |
5 | 2OP | 0.9601 |
6 | OXL | 0.9599 |
7 | OXD | 0.9599 |
8 | LAC | 0.9597 |
9 | ALA | 0.9585 |
10 | DAL | 0.9584 |
11 | PYM | 0.9567 |
12 | HGY | 0.9562 |
13 | BUO | 0.9555 |
14 | TF4 | 0.9514 |
15 | CP2 | 0.9505 |
16 | NAK | 0.9496 |
17 | ALQ | 0.9495 |
18 | GOA | 0.9489 |
19 | HBR | 0.9462 |
20 | HBS | 0.9452 |
21 | FAH | 0.9423 |
22 | PPI | 0.9405 |
23 | 73M | 0.9400 |
24 | GLV | 0.9374 |
25 | 61G | 0.9369 |
26 | 2A1 | 0.9367 |
27 | 2A3 | 0.9360 |
28 | HVB | 0.9358 |
29 | HAE | 0.9341 |
30 | NIE | 0.9334 |
31 | F3V | 0.9331 |
32 | BNZ | 0.9328 |
33 | GLY | 0.9326 |
34 | AKR | 0.9319 |
35 | ATQ | 0.9313 |
36 | J3K | 0.9313 |
37 | ATO | 0.9308 |
38 | F50 | 0.9308 |
39 | TSZ | 0.9286 |
40 | TCV | 0.9283 |
41 | PHZ | 0.9279 |
42 | R3W | 0.9279 |
43 | BRP | 0.9275 |
44 | B20 | 0.9266 |
45 | 0PY | 0.9264 |
46 | 9UX | 0.9260 |
47 | AGU | 0.9253 |
48 | PZO | 0.9252 |
49 | P1R | 0.9248 |
50 | IMD | 0.9245 |
51 | NHY | 0.9239 |
52 | 1BP | 0.9235 |
53 | HUH | 0.9232 |
54 | MGX | 0.9212 |
55 | TRI | 0.9196 |
56 | AMT | 0.9190 |
57 | BAQ | 0.9179 |
58 | 1CB | 0.9151 |
59 | NMU | 0.9143 |
60 | 6SP | 0.9131 |
61 | BXA | 0.9120 |
62 | 3MT | 0.9115 |
63 | GOL | 0.9100 |
64 | GXV | 0.9061 |
65 | HOW | 0.9060 |
66 | MMZ | 0.9058 |
67 | GBL | 0.9058 |
68 | DTI | 0.9055 |
69 | 3TR | 0.9030 |
70 | ACM | 0.9028 |
71 | MB3 | 0.9023 |
72 | KSW | 0.9022 |
73 | 3ZS | 0.9019 |
74 | HSL | 0.9008 |
75 | ACT | 0.9003 |
76 | SEY | 0.9002 |
77 | 1MZ | 0.8980 |
78 | BEF | 0.8974 |
79 | 5MP | 0.8970 |
80 | 3GR | 0.8968 |
81 | AF3 | 0.8962 |
82 | MZY | 0.8960 |
83 | 4MZ | 0.8950 |
84 | DSN | 0.8946 |
85 | A3B | 0.8932 |
86 | 2AI | 0.8930 |
87 | DMI | 0.8924 |
88 | HIU | 0.8922 |
89 | 78T | 0.8921 |
90 | IPA | 0.8921 |
91 | 2MZ | 0.8920 |
92 | MR3 | 0.8920 |
93 | ABA | 0.8917 |
94 | DGY | 0.8916 |
95 | BAL | 0.8915 |
96 | 2PO | 0.8913 |
97 | SER | 0.8910 |
98 | BUQ | 0.8907 |
99 | DXX | 0.8892 |
100 | BRJ | 0.8892 |
101 | CYH | 0.8892 |
102 | CXL | 0.8888 |
103 | 4AX | 0.8883 |
104 | HUI | 0.8882 |
105 | 5KX | 0.8880 |
106 | KCS | 0.8879 |
107 | BYZ | 0.8850 |
108 | PYZ | 0.8850 |
109 | 3OH | 0.8841 |
110 | EDO | 0.8825 |
111 | ES3 | 0.8820 |
112 | JZ6 | 0.8820 |
113 | DCY | 0.8800 |
114 | HAI | 0.8789 |
115 | CYS | 0.8788 |
116 | VN4 | 0.8785 |
117 | MCH | 0.8784 |
118 | BUA | 0.8751 |
119 | 2KT | 0.8744 |
120 | 1AC | 0.8743 |
121 | A2Q | 0.8725 |
122 | KG7 | 0.8720 |
123 | V1L | 0.8691 |
124 | IPH | 0.8670 |
125 | MBN | 0.8667 |
126 | LGA | 0.8660 |
127 | HLT | 0.8660 |
128 | 7EX | 0.8645 |
129 | 2AP | 0.8640 |
130 | 3ZQ | 0.8637 |
131 | MEU | 0.8637 |
132 | HRZ | 0.8633 |
133 | HVK | 0.8630 |
134 | 3AP | 0.8630 |
135 | 4AP | 0.8627 |
136 | 2IM | 0.8623 |
137 | AXO | 0.8618 |
138 | 8CL | 0.8610 |
139 | MMU | 0.8600 |
140 | L60 | 0.8592 |
141 | GXE | 0.8592 |
142 | 9PO | 0.8590 |
143 | TTO | 0.8590 |
144 | 40O | 0.8585 |
145 | TAY | 0.8580 |
146 | OSM | 0.8579 |
147 | 93B | 0.8558 |
148 | HHN | 0.8550 |
This union binding pocket(no: 1) in the query (biounit: 3ef0.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |