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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 2 families. | |||||
1 | 4CIB | - | 7UZ | C10 H16 O4 | C1CCC(CC1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 4CIB | - | 7UZ | C10 H16 O4 | C1CCC(CC1).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 7UZ | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | AVI | 0.9437 |
2 | 2B4 | 0.9433 |
3 | T2D | 0.9420 |
4 | DPN | 0.9297 |
5 | PPY | 0.9284 |
6 | AVJ | 0.9236 |
7 | SER THR | 0.9217 |
8 | 23N | 0.9203 |
9 | TT4 | 0.9196 |
10 | NFA | 0.9186 |
11 | ING | 0.9178 |
12 | PHE | 0.9177 |
13 | ACE PHE | 0.9170 |
14 | F16 | 0.9163 |
15 | 1A7 | 0.9151 |
16 | HFA | 0.9136 |
17 | R20 | 0.9130 |
18 | 6J9 | 0.9127 |
19 | X48 | 0.9111 |
20 | 3CR | 0.9111 |
21 | PFF | 0.9109 |
22 | TYR | 0.9106 |
23 | DTY | 0.9106 |
24 | JGB | 0.9103 |
25 | VAL VAL | 0.9100 |
26 | BPY | 0.9095 |
27 | TYC | 0.9091 |
28 | Q06 | 0.9077 |
29 | MOK | 0.9077 |
30 | EN1 | 0.9076 |
31 | 9B3 | 0.9062 |
32 | DAH | 0.9057 |
33 | K80 | 0.9053 |
34 | JZA | 0.9053 |
35 | YOF | 0.9050 |
36 | 1KM | 0.9048 |
37 | TZM | 0.9048 |
38 | 9PL | 0.9047 |
39 | BZS | 0.9037 |
40 | Q04 | 0.9034 |
41 | 1L5 | 0.9033 |
42 | 9W5 | 0.9032 |
43 | 7QD | 0.9025 |
44 | CH9 | 0.9021 |
45 | HIS | 0.9010 |
46 | XDK | 0.9010 |
47 | 4BF | 0.9008 |
48 | BNL | 0.9005 |
49 | 56D | 0.9001 |
50 | NLQ | 0.8998 |
51 | HX4 | 0.8997 |
52 | A5E | 0.8996 |
53 | PHI | 0.8995 |
54 | HJ7 | 0.8995 |
55 | Y4L | 0.8994 |
56 | 1Z6 | 0.8992 |
57 | 4LV | 0.8984 |
58 | K7M | 0.8979 |
59 | AOT | 0.8977 |
60 | ISA | 0.8975 |
61 | BTM | 0.8965 |
62 | 0A9 | 0.8963 |
63 | 3NF | 0.8961 |
64 | FHC | 0.8960 |
65 | 33S | 0.8960 |
66 | HJH | 0.8955 |
67 | 7Q1 | 0.8951 |
68 | TIH | 0.8949 |
69 | D3G | 0.8949 |
70 | B2Y | 0.8947 |
71 | 7QS | 0.8946 |
72 | IYR | 0.8942 |
73 | HNL | 0.8941 |
74 | JRB | 0.8937 |
75 | QUS | 0.8937 |
76 | M1Z | 0.8933 |
77 | CBQ | 0.8932 |
78 | 4LW | 0.8931 |
79 | MPV | 0.8931 |
80 | HF2 | 0.8928 |
81 | 2V0 | 0.8928 |
82 | HNH | 0.8926 |
83 | NCT | 0.8920 |
84 | ENO | 0.8919 |
85 | NLG | 0.8919 |
86 | 4WK | 0.8914 |
87 | C0H | 0.8913 |
88 | GLY PHE | 0.8912 |
89 | 3YQ | 0.8911 |
90 | S2T | 0.8910 |
91 | HNK | 0.8907 |
92 | X11 | 0.8906 |
93 | D2G | 0.8901 |
94 | RIS | 0.8896 |
95 | S2P | 0.8895 |
96 | KJM | 0.8895 |
97 | R2P | 0.8892 |
98 | AVO | 0.8889 |
99 | IC9 | 0.8886 |
100 | ALE | 0.8883 |
101 | 0NX | 0.8876 |
102 | B3U | 0.8876 |
103 | CK2 | 0.8871 |
104 | 2UZ | 0.8871 |
105 | J9N | 0.8870 |
106 | SHI | 0.8868 |
107 | GTC | 0.8868 |
108 | 2D2 | 0.8866 |
109 | HIC | 0.8855 |
110 | JF6 | 0.8847 |
111 | R9J | 0.8842 |
112 | 54F | 0.8841 |
113 | 1Z8 | 0.8832 |
114 | E0O | 0.8832 |
115 | RQD | 0.8816 |
116 | B40 | 0.8813 |
117 | C53 | 0.8811 |
118 | XQB | 0.8810 |
119 | C6J | 0.8809 |
120 | KTJ | 0.8809 |
121 | GVG | 0.8808 |
122 | DUR | 0.8804 |
123 | GZ2 | 0.8803 |
124 | 5ZZ | 0.8802 |
125 | M74 | 0.8799 |
126 | 7VP | 0.8798 |
127 | HL4 | 0.8796 |
128 | 9UL | 0.8794 |
129 | KYN | 0.8793 |
130 | URI | 0.8793 |
131 | GNW | 0.8791 |
132 | X6P | 0.8787 |
133 | HHI | 0.8787 |
134 | DHI | 0.8787 |
135 | CTN | 0.8786 |
136 | W29 | 0.8777 |
137 | 4FF | 0.8776 |
138 | 791 | 0.8776 |
139 | MMS | 0.8775 |
140 | DCZ | 0.8772 |
141 | XDE | 0.8761 |
142 | 92G | 0.8758 |
143 | DYT | 0.8757 |
144 | 79W | 0.8756 |
145 | BCK | 0.8755 |
146 | 2LT | 0.8754 |
147 | MPK | 0.8746 |
148 | DE3 | 0.8746 |
149 | RUY | 0.8740 |
150 | 50C | 0.8736 |
151 | NI9 | 0.8735 |
152 | 1VK | 0.8734 |
153 | PH3 | 0.8733 |
154 | PF1 | 0.8733 |
155 | ZOL | 0.8733 |
156 | B09 | 0.8732 |
157 | XQI | 0.8731 |
158 | 2F6 | 0.8728 |
159 | BRH | 0.8726 |
160 | GLR | 0.8720 |
161 | 46P | 0.8713 |
162 | DHZ | 0.8713 |
163 | 1WC | 0.8708 |
164 | A9P | 0.8708 |
165 | 7O4 | 0.8707 |
166 | 1XA | 0.8706 |
167 | TH4 | 0.8705 |
168 | G14 | 0.8701 |
169 | TRP | 0.8701 |
170 | A3M | 0.8699 |
171 | UN1 | 0.8699 |
172 | P58 | 0.8698 |
173 | DXG | 0.8678 |
174 | DI6 | 0.8676 |
175 | DIR | 0.8672 |
176 | 1BY | 0.8670 |
177 | NZ2 | 0.8665 |
178 | 492 | 0.8664 |
179 | 3VQ | 0.8661 |
180 | THU | 0.8654 |
181 | 3B4 | 0.8653 |
182 | RA7 | 0.8636 |
183 | M72 | 0.8635 |
184 | CK1 | 0.8631 |
185 | QMP | 0.8630 |
186 | HWD | 0.8617 |
187 | D5X | 0.8608 |
188 | 2UB | 0.8599 |
189 | 3QM | 0.8597 |
190 | 3LR | 0.8595 |
191 | ODK | 0.8590 |
192 | SQP | 0.8585 |
193 | EQW | 0.8583 |
194 | IVL | 0.8582 |
195 | 6ZX | 0.8581 |
196 | N9J | 0.8577 |
197 | S7A | 0.8573 |
198 | 4PN | 0.8573 |
199 | DTR | 0.8570 |
200 | H4E | 0.8548 |
201 | HO6 | 0.8533 |
202 | CMU | 0.8527 |
This union binding pocket(no: 1) in the query (biounit: 4cib.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4cib.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |