- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- 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 | 3HQ0 | - | M3P | C7 H8 O4 | CC(=O)C=CC.... |
2 | 3HPY | - | MCT | C7 H8 O2 | Cc1ccc(c(c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 3HQ0 | - | M3P | C7 H8 O4 | CC(=O)C=CC.... |
2 | 3HPY | - | MCT | C7 H8 O2 | Cc1ccc(c(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | M3P | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | UN1 | 0.9625 |
2 | CIR | 0.9445 |
3 | LYS | 0.9412 |
4 | DLY | 0.9365 |
5 | GLN | 0.9338 |
6 | ARG | 0.9334 |
7 | NNH | 0.9325 |
8 | AKG | 0.9321 |
9 | DGL | 0.9313 |
10 | 2JJ | 0.9295 |
11 | GLU | 0.9220 |
12 | DAR | 0.9211 |
13 | OGA | 0.9205 |
14 | TCA | 0.9194 |
15 | 0L1 | 0.9190 |
16 | DER | 0.9188 |
17 | GGB | 0.9184 |
18 | GVA | 0.9178 |
19 | PHE | 0.9170 |
20 | ORN | 0.9170 |
21 | PBA | 0.9170 |
22 | OOG | 0.9165 |
23 | 9YT | 0.9164 |
24 | S2G | 0.9163 |
25 | DIR | 0.9159 |
26 | KTA | 0.9156 |
27 | MLY | 0.9138 |
28 | MET | 0.9134 |
29 | PO6 | 0.9132 |
30 | S8V | 0.9130 |
31 | API | 0.9128 |
32 | 3OL | 0.9121 |
33 | 3OM | 0.9121 |
34 | 7OD | 0.9119 |
35 | DHC | 0.9119 |
36 | GUA | 0.9118 |
37 | SZ7 | 0.9118 |
38 | BNF | 0.9107 |
39 | 2HG | 0.9088 |
40 | MLZ | 0.9080 |
41 | DHM | 0.9066 |
42 | 0VT | 0.9063 |
43 | XIZ | 0.9063 |
44 | AHN | 0.9057 |
45 | FHC | 0.9045 |
46 | GRQ | 0.9041 |
47 | C82 | 0.9040 |
48 | TYR | 0.9037 |
49 | HF2 | 0.9034 |
50 | 8SZ | 0.9030 |
51 | 4TB | 0.9027 |
52 | SHV | 0.9017 |
53 | 4TP | 0.9014 |
54 | SB7 | 0.9009 |
55 | R20 | 0.9008 |
56 | TZM | 0.9006 |
57 | P80 | 0.9005 |
58 | MPV | 0.8997 |
59 | NPI | 0.8992 |
60 | PRO GLY | 0.8985 |
61 | HGA | 0.8984 |
62 | LNR | 0.8980 |
63 | 6TZ | 0.8978 |
64 | PBN | 0.8975 |
65 | 2IT | 0.8974 |
66 | ENV | 0.8966 |
67 | 1L5 | 0.8963 |
68 | DLT | 0.8957 |
69 | TZP | 0.8954 |
70 | CXP | 0.8954 |
71 | LDP | 0.8954 |
72 | FK8 | 0.8952 |
73 | TYL | 0.8948 |
74 | PPY | 0.8947 |
75 | FOM | 0.8942 |
76 | 0HO | 0.8937 |
77 | GO2 | 0.8925 |
78 | XRX | 0.8923 |
79 | R2P | 0.8919 |
80 | IOP | 0.8914 |
81 | 1PS | 0.8902 |
82 | 8NB | 0.8902 |
83 | P7Y | 0.8899 |
84 | ENO | 0.8897 |
85 | AX3 | 0.8897 |
86 | 9ON | 0.8893 |
87 | 7C3 | 0.8891 |
88 | 268 | 0.8891 |
89 | F98 | 0.8890 |
90 | 1VK | 0.8890 |
91 | ZGL | 0.8883 |
92 | SSB | 0.8873 |
93 | YPN | 0.8871 |
94 | 650 | 0.8868 |
95 | DPN | 0.8868 |
96 | 1F1 | 0.8868 |
97 | 1BN | 0.8863 |
98 | PH3 | 0.8860 |
99 | QBM | 0.8855 |
100 | NFA | 0.8853 |
101 | MD6 | 0.8850 |
102 | KPC | 0.8846 |
103 | HC4 | 0.8844 |
104 | ACA | 0.8840 |
105 | HCI | 0.8838 |
106 | LUQ | 0.8837 |
107 | HFA | 0.8837 |
108 | LYN | 0.8836 |
109 | PML | 0.8834 |
110 | 26P | 0.8831 |
111 | ZZU | 0.8830 |
112 | MSE | 0.8827 |
113 | EN1 | 0.8822 |
114 | 61M | 0.8821 |
115 | 1X4 | 0.8819 |
116 | 4XF | 0.8817 |
117 | GZ2 | 0.8817 |
118 | KMT | 0.8809 |
119 | 2HC | 0.8806 |
120 | LSQ | 0.8802 |
121 | ONL | 0.8794 |
122 | L22 | 0.8789 |
123 | YTX | 0.8789 |
124 | ALE | 0.8789 |
125 | OCA | 0.8787 |
126 | NTU | 0.8786 |
127 | DZA | 0.8784 |
128 | M5H | 0.8777 |
129 | N9J | 0.8771 |
130 | YIE | 0.8770 |
131 | TOH | 0.8769 |
132 | NFZ | 0.8768 |
133 | DXP | 0.8766 |
134 | HL4 | 0.8765 |
135 | ESX | 0.8761 |
136 | 2FX | 0.8760 |
137 | 3YP | 0.8756 |
138 | E4P | 0.8756 |
139 | DGN | 0.8755 |
140 | DNF | 0.8753 |
141 | NLE | 0.8751 |
142 | DI6 | 0.8744 |
143 | 6Q3 | 0.8738 |
144 | XI7 | 0.8737 |
145 | 6J5 | 0.8737 |
146 | IVL | 0.8732 |
147 | Y3L | 0.8731 |
148 | AG2 | 0.8726 |
149 | HSX | 0.8724 |
150 | N6C | 0.8720 |
151 | XRS | 0.8715 |
152 | RP5 | 0.8714 |
153 | S2P | 0.8713 |
154 | 492 | 0.8711 |
155 | 4LW | 0.8709 |
156 | MPH | 0.8707 |
157 | JDN | 0.8706 |
158 | SHI | 0.8706 |
159 | B40 | 0.8698 |
160 | PRA | 0.8696 |
161 | BHU | 0.8694 |
162 | B3U | 0.8687 |
163 | SME | 0.8685 |
164 | NYL | 0.8684 |
165 | 0A9 | 0.8680 |
166 | 55D | 0.8676 |
167 | HIC | 0.8675 |
168 | QIV | 0.8672 |
169 | 7R4 | 0.8672 |
170 | PLP | 0.8657 |
171 | FF2 | 0.8651 |
172 | MED | 0.8642 |
173 | RP3 | 0.8641 |
174 | TRP | 0.8634 |
175 | HA5 | 0.8633 |
176 | GGL | 0.8632 |
177 | RKV | 0.8632 |
178 | C53 | 0.8628 |
179 | E8U | 0.8627 |
180 | 263 | 0.8626 |
181 | DAH | 0.8615 |
182 | GJK | 0.8615 |
183 | 7BC | 0.8606 |
184 | KDG | 0.8603 |
185 | KNA | 0.8599 |
186 | CLT | 0.8599 |
187 | P81 | 0.8595 |
188 | E1T | 0.8582 |
189 | FER | 0.8582 |
190 | STT | 0.8579 |
191 | DDW | 0.8565 |
192 | 2UB | 0.8559 |
193 | GO8 | 0.8558 |
194 | YIP | 0.8552 |
195 | SPD | 0.8546 |
This union binding pocket(no: 3) in the query (biounit: 3hpy.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |