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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 1 families. | |||||
1 | 7KJD | - | RIS | C7 H11 N O7 P2 | c1cc(cnc1).... |
2 | 3KB9 | - | BTM | C13 H22 N | CC[N+](CC).... |
3 | 7KJ8 | - | 210 | C3 H11 N O7 P2 | C(CN)C(O)(.... |
4 | 6AXM | - | BTM | C13 H22 N | CC[N+](CC).... |
5 | 4LUU | - | BTM | C13 H22 N | CC[N+](CC).... |
6 | 6AXN | - | BTM | C13 H22 N | CC[N+](CC).... |
7 | 7KJF | - | NRD | C6 H17 N O7 P2 | C(CCC(O)(P.... |
8 | 4LXW | - | BTM | C13 H22 N | CC[N+](CC).... |
9 | 4LZ0 | - | BTM | C13 H22 N | CC[N+](CC).... |
10 | 4LTZ | - | BTM | C13 H22 N | CC[N+](CC).... |
11 | 3LG5 | - | BTM | C13 H22 N | CC[N+](CC).... |
12 | 6AXU | - | BTM | C13 H22 N | CC[N+](CC).... |
13 | 7KJ9 | - | RIS | C7 H11 N O7 P2 | c1cc(cnc1).... |
14 | 6OFV | - | BTM | C13 H22 N | CC[N+](CC).... |
15 | 7KJE | - | NRD | C6 H17 N O7 P2 | C(CCC(O)(P.... |
16 | 4LZ3 | - | BTM | C13 H22 N | CC[N+](CC).... |
17 | 6AX9 | - | BTM | C13 H22 N | CC[N+](CC).... |
18 | 7KJG | - | BTM | C13 H22 N | CC[N+](CC).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 7KJD | - | RIS | C7 H11 N O7 P2 | c1cc(cnc1).... |
2 | 3KB9 | - | BTM | C13 H22 N | CC[N+](CC).... |
3 | 7KJ8 | - | 210 | C3 H11 N O7 P2 | C(CN)C(O)(.... |
4 | 6AXM | - | BTM | C13 H22 N | CC[N+](CC).... |
5 | 4LUU | - | BTM | C13 H22 N | CC[N+](CC).... |
6 | 6AXN | - | BTM | C13 H22 N | CC[N+](CC).... |
7 | 7KJF | - | NRD | C6 H17 N O7 P2 | C(CCC(O)(P.... |
8 | 4LXW | - | BTM | C13 H22 N | CC[N+](CC).... |
9 | 4LZ0 | - | BTM | C13 H22 N | CC[N+](CC).... |
10 | 4LTZ | - | BTM | C13 H22 N | CC[N+](CC).... |
11 | 3LG5 | - | BTM | C13 H22 N | CC[N+](CC).... |
12 | 6AXU | - | BTM | C13 H22 N | CC[N+](CC).... |
13 | 7KJ9 | - | RIS | C7 H11 N O7 P2 | c1cc(cnc1).... |
14 | 6OFV | - | BTM | C13 H22 N | CC[N+](CC).... |
15 | 7KJE | - | NRD | C6 H17 N O7 P2 | C(CCC(O)(P.... |
16 | 4LZ3 | - | BTM | C13 H22 N | CC[N+](CC).... |
17 | 6AX9 | - | BTM | C13 H22 N | CC[N+](CC).... |
18 | 7KJG | - | BTM | C13 H22 N | CC[N+](CC).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | BTM | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 3CR | 0.9326 |
2 | B85 | 0.9243 |
3 | DPN | 0.9229 |
4 | MPK | 0.9217 |
5 | P58 | 0.9197 |
6 | PHE | 0.9194 |
7 | NFA | 0.9183 |
8 | R9J | 0.9170 |
9 | AVI | 0.9167 |
10 | HFA | 0.9149 |
11 | PCS | 0.9147 |
12 | HPS | 0.9120 |
13 | HIS | 0.9111 |
14 | SYC | 0.9107 |
15 | DTY | 0.9064 |
16 | E0O | 0.9062 |
17 | QMP | 0.9051 |
18 | EBP | 0.9031 |
19 | TYR | 0.9028 |
20 | NCT | 0.9027 |
21 | HF2 | 0.9017 |
22 | S2P | 0.9015 |
23 | GWM | 0.8996 |
24 | IC9 | 0.8996 |
25 | PMF | 0.8996 |
26 | M72 | 0.8994 |
27 | 0A9 | 0.8982 |
28 | MOK | 0.8971 |
29 | ENO | 0.8966 |
30 | R2P | 0.8966 |
31 | 7UZ | 0.8965 |
32 | SHI | 0.8962 |
33 | TIH | 0.8957 |
34 | 4LV | 0.8950 |
35 | 2B4 | 0.8934 |
36 | PPY | 0.8929 |
37 | AVJ | 0.8928 |
38 | MXD | 0.8925 |
39 | RLG | 0.8922 |
40 | 50C | 0.8909 |
41 | HHH | 0.8908 |
42 | PFF | 0.8906 |
43 | SEP | 0.8903 |
44 | RQD | 0.8901 |
45 | DHZ | 0.8895 |
46 | FHC | 0.8892 |
47 | K7M | 0.8890 |
48 | BRH | 0.8889 |
49 | M6H | 0.8889 |
50 | BZE | 0.8882 |
51 | GVG | 0.8881 |
52 | 9PL | 0.8880 |
53 | Q03 | 0.8880 |
54 | DYT | 0.8879 |
55 | TYC | 0.8878 |
56 | HNL | 0.8874 |
57 | HNK | 0.8874 |
58 | QUS | 0.8872 |
59 | QBS | 0.8871 |
60 | F16 | 0.8869 |
61 | DHI | 0.8864 |
62 | DAH | 0.8864 |
63 | BNL | 0.8858 |
64 | MES | 0.8857 |
65 | AMQ | 0.8853 |
66 | 3PG | 0.8852 |
67 | R9V | 0.8848 |
68 | GZ2 | 0.8847 |
69 | 8U3 | 0.8845 |
70 | GTK | 0.8845 |
71 | HJH | 0.8841 |
72 | YOF | 0.8840 |
73 | Q06 | 0.8833 |
74 | HWD | 0.8832 |
75 | TYE | 0.8831 |
76 | 56D | 0.8824 |
77 | X48 | 0.8823 |
78 | 33S | 0.8822 |
79 | M74 | 0.8821 |
80 | DNB | 0.8821 |
81 | 1Z6 | 0.8815 |
82 | HX4 | 0.8811 |
83 | TYU | 0.8804 |
84 | 2C2 | 0.8796 |
85 | GLR | 0.8795 |
86 | E1P | 0.8795 |
87 | CH9 | 0.8795 |
88 | 97T | 0.8795 |
89 | 13P | 0.8794 |
90 | T2D | 0.8794 |
91 | MSR | 0.8791 |
92 | 3QM | 0.8790 |
93 | 0BP | 0.8790 |
94 | M5E | 0.8789 |
95 | PHI | 0.8787 |
96 | 23N | 0.8786 |
97 | CTN | 0.8783 |
98 | LFC | 0.8781 |
99 | 1X4 | 0.8780 |
100 | K80 | 0.8778 |
101 | B40 | 0.8777 |
102 | ISA | 0.8773 |
103 | 7MK | 0.8769 |
104 | URI | 0.8764 |
105 | DUR | 0.8763 |
106 | BP7 | 0.8762 |
107 | AOT | 0.8762 |
108 | ZEB | 0.8761 |
109 | BPY | 0.8759 |
110 | DE3 | 0.8755 |
111 | HNM | 0.8752 |
112 | Q02 | 0.8746 |
113 | A5E | 0.8745 |
114 | 9B3 | 0.8744 |
115 | DXG | 0.8743 |
116 | THU | 0.8743 |
117 | DCZ | 0.8740 |
118 | CPZ | 0.8740 |
119 | PGH | 0.8732 |
120 | AR3 | 0.8729 |
121 | 61M | 0.8728 |
122 | RUY | 0.8726 |
123 | HCI | 0.8724 |
124 | W29 | 0.8722 |
125 | AKG | 0.8722 |
126 | JF6 | 0.8721 |
127 | XDK | 0.8720 |
128 | APG | 0.8718 |
129 | 1A7 | 0.8718 |
130 | RMN | 0.8707 |
131 | 22L | 0.8707 |
132 | FMQ | 0.8705 |
133 | 1XA | 0.8705 |
134 | KTJ | 0.8703 |
135 | M1Z | 0.8698 |
136 | 173 | 0.8694 |
137 | IYR | 0.8692 |
138 | TRP | 0.8691 |
139 | LJ3 | 0.8691 |
140 | TZF | 0.8691 |
141 | BVA | 0.8686 |
142 | BCK | 0.8683 |
143 | JZA | 0.8682 |
144 | 9RH | 0.8680 |
145 | 92G | 0.8679 |
146 | HSO | 0.8675 |
147 | 9RW | 0.8671 |
148 | 1WC | 0.8667 |
149 | GCO | 0.8667 |
150 | SMN | 0.8665 |
151 | REJ | 0.8664 |
152 | 8OZ | 0.8662 |
153 | PEP | 0.8659 |
154 | 36Y | 0.8659 |
155 | 4SX | 0.8653 |
156 | FK8 | 0.8652 |
157 | PIM | 0.8652 |
158 | AMR | 0.8650 |
159 | DDU | 0.8649 |
160 | M45 | 0.8647 |
161 | M3E | 0.8646 |
162 | GVY | 0.8646 |
163 | 9UL | 0.8645 |
164 | GEO | 0.8641 |
165 | TT4 | 0.8641 |
166 | AOS | 0.8640 |
167 | CXP | 0.8639 |
168 | HBO | 0.8639 |
169 | MPV | 0.8630 |
170 | G3H | 0.8629 |
171 | 9W5 | 0.8628 |
172 | LGT | 0.8622 |
173 | SOR | 0.8620 |
174 | E3X | 0.8620 |
175 | JRB | 0.8619 |
176 | 4LW | 0.8618 |
177 | J0Z | 0.8616 |
178 | 6TZ | 0.8615 |
179 | VAL VAL | 0.8611 |
180 | RP5 | 0.8606 |
181 | E4P | 0.8603 |
182 | ZIQ | 0.8600 |
183 | CTD | 0.8599 |
184 | DHK | 0.8596 |
185 | SV4 | 0.8591 |
186 | HNH | 0.8583 |
187 | MUK | 0.8580 |
188 | CWD | 0.8578 |
189 | JAH | 0.8574 |
190 | 3YP | 0.8569 |
191 | PH3 | 0.8567 |
192 | UA5 | 0.8567 |
193 | 1BN | 0.8564 |
194 | 091 | 0.8561 |
195 | ALE | 0.8556 |
196 | DTR | 0.8553 |
197 | RIS | 0.8538 |
198 | HQJ | 0.8537 |
199 | R20 | 0.8534 |
200 | EXR | 0.8534 |
201 | GP9 | 0.8526 |
202 | L5V | 0.8503 |
This union binding pocket(no: 1) in the query (biounit: 7kjg.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5DZ2 | 212 | 36.3905 |
2 | 5DZ2 | 212 | 36.3905 |