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- Structure Biounit | Ligand Information
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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 5 families. | |||||
1 | 3CF8 | Ki = 12.7 uM | QUE | C15 H10 O7 | c1cc(c(cc1.... |
2 | 3DOZ | ic50 = 1.98 uM | 3BE | C14 H9 Br3 N2 O3 | c1cc(cc(c1.... |
3 | 3ED0 | Kd = 0.45 uM | EMO | C15 H10 O5 | Cc1cc2c(c(.... |
4 | 3B7J | Ki = 6.8 uM | JUG | C10 H6 O3 | c1cc2c(c(c.... |
5 | 3DP3 | ic50 = 1.52 uM | 4BB | C18 H18 Br2 N2 O3 | CC(C)(C)c1.... |
6 | 3DP2 | ic50 = 1.5 uM | 4BE | C14 H9 Br3 N2 O3 | c1cc(ccc1C.... |
7 | 3DP1 | ic50 = 9.92 uM | 2RB | C15 H12 Br2 N2 O4 | COc1ccc(cc.... |
8 | 3D04 | Ki = 0.9 uM | SAK | C16 H14 O5 | COc1cc(c2c.... |
9 | 3DP0 | ic50 = 1.42 uM | 2BC | C18 H12 Br2 N2 O3 | c1ccc2cc(c.... |
10 | 3DOY | ic50 = 1.52 uM | 2BE | C14 H9 Br2 Cl N2 O3 | c1cc(ccc1C.... |
11 | 2GLP | Ki = 9.7 uM | BDE | C13 H9 Br2 N3 O3 | c1cc(cnc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 3CF8 | Ki = 12.7 uM | QUE | C15 H10 O7 | c1cc(c(cc1.... |
2 | 3DOZ | ic50 = 1.98 uM | 3BE | C14 H9 Br3 N2 O3 | c1cc(cc(c1.... |
3 | 3ED0 | Kd = 0.45 uM | EMO | C15 H10 O5 | Cc1cc2c(c(.... |
4 | 3B7J | Ki = 6.8 uM | JUG | C10 H6 O3 | c1cc2c(c(c.... |
5 | 3DP3 | ic50 = 1.52 uM | 4BB | C18 H18 Br2 N2 O3 | CC(C)(C)c1.... |
6 | 3DP2 | ic50 = 1.5 uM | 4BE | C14 H9 Br3 N2 O3 | c1cc(ccc1C.... |
7 | 3DP1 | ic50 = 9.92 uM | 2RB | C15 H12 Br2 N2 O4 | COc1ccc(cc.... |
8 | 3D04 | Ki = 0.9 uM | SAK | C16 H14 O5 | COc1cc(c2c.... |
9 | 3DP0 | ic50 = 1.42 uM | 2BC | C18 H12 Br2 N2 O3 | c1ccc2cc(c.... |
10 | 3DOY | ic50 = 1.52 uM | 2BE | C14 H9 Br2 Cl N2 O3 | c1cc(ccc1C.... |
11 | 2GLP | Ki = 9.7 uM | BDE | C13 H9 Br2 N3 O3 | c1cc(cnc1).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | EMO | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | FT2 | 1.0000 |
2 | LFN | 0.9505 |
3 | 9TF | 0.9501 |
4 | JRO | 0.9481 |
5 | NRA | 0.9459 |
6 | E1K | 0.9453 |
7 | TXQ | 0.9419 |
8 | RHN | 0.9383 |
9 | MNY | 0.9319 |
10 | 537 | 0.9307 |
11 | 27M | 0.9293 |
12 | LUM | 0.9287 |
13 | DPT | 0.9233 |
14 | 1YL | 0.9219 |
15 | PRL | 0.9212 |
16 | NOM | 0.9200 |
17 | 8SK | 0.9198 |
18 | ZSP | 0.9176 |
19 | 3J8 | 0.9172 |
20 | JTA | 0.9170 |
21 | GNV | 0.9161 |
22 | H4B | 0.9155 |
23 | REF | 0.9150 |
24 | DX7 | 0.9131 |
25 | 1DR | 0.9126 |
26 | Q0K | 0.9111 |
27 | 1EL | 0.9106 |
28 | HC8 | 0.9094 |
29 | 19E | 0.9086 |
30 | 2WU | 0.9086 |
31 | HNA | 0.9073 |
32 | BA5 | 0.9067 |
33 | XM5 | 0.9043 |
34 | THA | 0.9032 |
35 | S98 | 0.9022 |
36 | 39Z | 0.9020 |
37 | 113 | 0.9011 |
38 | CUE | 0.9008 |
39 | IQZ | 0.8995 |
40 | 8MO | 0.8995 |
41 | AZN | 0.8991 |
42 | CZ0 | 0.8990 |
43 | JY4 | 0.8990 |
44 | S60 | 0.8987 |
45 | HRD | 0.8982 |
46 | WS6 | 0.8977 |
47 | DNQ | 0.8964 |
48 | ANC | 0.8961 |
49 | 272 | 0.8954 |
50 | 6QF | 0.8952 |
51 | ANF | 0.8952 |
52 | BGU | 0.8949 |
53 | AA | 0.8941 |
54 | EQU | 0.8938 |
55 | HRM | 0.8929 |
56 | CNI | 0.8913 |
57 | 1WO | 0.8899 |
58 | FQX | 0.8893 |
59 | EST | 0.8890 |
60 | 18E | 0.8881 |
61 | 6FB | 0.8879 |
62 | MNX | 0.8877 |
63 | M3F | 0.8875 |
64 | CX6 | 0.8875 |
65 | 5XL | 0.8874 |
66 | GNY | 0.8873 |
67 | IXM | 0.8867 |
68 | AQN | 0.8858 |
69 | GNJ | 0.8856 |
70 | TIY | 0.8855 |
71 | 344 | 0.8853 |
72 | VUP | 0.8848 |
73 | UN9 | 0.8846 |
74 | BIK | 0.8841 |
75 | ALR | 0.8840 |
76 | B56 | 0.8827 |
77 | N0Z | 0.8827 |
78 | PK3 | 0.8826 |
79 | 5AD | 0.8826 |
80 | 6TJ | 0.8826 |
81 | XTS | 0.8820 |
82 | MFR | 0.8817 |
83 | 30G | 0.8815 |
84 | 2J1 | 0.8811 |
85 | ITE | 0.8807 |
86 | Z21 | 0.8806 |
87 | DNA | 0.8800 |
88 | K7H | 0.8794 |
89 | II4 | 0.8794 |
90 | 2MQ | 0.8791 |
91 | ADL | 0.8786 |
92 | 2K8 | 0.8779 |
93 | J3Z | 0.8776 |
94 | GNM | 0.8776 |
95 | 9KZ | 0.8775 |
96 | 5WT | 0.8771 |
97 | 1TJ | 0.8766 |
98 | 2AN | 0.8766 |
99 | DY9 | 0.8762 |
100 | OAL | 0.8760 |
101 | 9CE | 0.8751 |
102 | Z73 | 0.8741 |
103 | NEU | 0.8741 |
104 | DRG | 0.8738 |
105 | 7AP | 0.8738 |
106 | 5V7 | 0.8737 |
107 | 609 | 0.8733 |
108 | WS7 | 0.8732 |
109 | 1HN | 0.8727 |
110 | TCR | 0.8725 |
111 | 2JK | 0.8724 |
112 | 4HG | 0.8723 |
113 | SDN | 0.8720 |
114 | K44 | 0.8710 |
115 | E2Q | 0.8706 |
116 | HBI | 0.8704 |
117 | BIO | 0.8702 |
118 | 62D | 0.8700 |
119 | AN3 | 0.8692 |
120 | HHS | 0.8690 |
121 | FXE | 0.8686 |
122 | 4AN | 0.8686 |
123 | 5TY | 0.8684 |
124 | 1FL | 0.8684 |
125 | BRY | 0.8680 |
126 | 8DA | 0.8671 |
127 | 3Y7 | 0.8670 |
128 | H5B | 0.8670 |
129 | DK1 | 0.8668 |
130 | 2V4 | 0.8665 |
131 | CC6 | 0.8658 |
132 | 54X | 0.8656 |
133 | 4RU | 0.8651 |
134 | 1V1 | 0.8651 |
135 | 20D | 0.8650 |
136 | JF8 | 0.8648 |
137 | A73 | 0.8643 |
138 | GJP | 0.8643 |
139 | 8G6 | 0.8642 |
140 | X2M | 0.8641 |
141 | FNT | 0.8641 |
142 | 68A | 0.8638 |
143 | 0FR | 0.8630 |
144 | UXH | 0.8626 |
145 | WV7 | 0.8623 |
146 | HH6 | 0.8620 |
147 | GNG | 0.8619 |
148 | AO | 0.8619 |
149 | DFL | 0.8618 |
150 | MRI | 0.8615 |
151 | 6VW | 0.8614 |
152 | LP8 | 0.8613 |
153 | IDZ | 0.8600 |
154 | JWS | 0.8595 |
155 | X0T | 0.8594 |
156 | AD3 | 0.8592 |
157 | 0XT | 0.8592 |
158 | 2GQ | 0.8585 |
159 | X0U | 0.8582 |
160 | G12 | 0.8580 |
161 | 6ZE | 0.8574 |
162 | ZYR | 0.8572 |
163 | GRI | 0.8570 |
164 | 17M | 0.8570 |
165 | 4KL | 0.8564 |
166 | XYP XYP | 0.8559 |
167 | DX2 | 0.8559 |
168 | 2FQ | 0.8557 |
169 | NEO | 0.8557 |
170 | DBQ | 0.8553 |
171 | 774 | 0.8547 |
172 | MXX | 0.8538 |
173 | 3L1 | 0.8524 |
174 | GA2 | 0.8521 |
175 | PEY | 0.8516 |
This union binding pocket(no: 1) in the query (biounit: 3d04.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3d04.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |