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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 8 families. | |||||
1 | 3ABA | - | FLI | C35 H58 O9 | CCCCCC[C@@.... |
2 | 5IT1 | - | 2OH | C15 H16 O2 | CC(C)(c1cc.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 14 families. | |||||
1 | 3A50 | - | VD3 | C27 H44 O | CC(C)CCC[C.... |
2 | 3A51 | - | VDY | C27 H44 O2 | C[C@H](CCC.... |
3 | 5FOI | Kd = 1 nM | MY8 | C29 H49 N O6 | CC[C@@H]1[.... |
4 | 5GWE | Kd = 62 uM | GWM | C7 H9 O4 P | Cc1ccc(cc1.... |
5 | 5XJN | - | 88L | C8 H11 O4 P | CCc1ccc(cc.... |
6 | 4OQR | Kd = 29.3 uM | 2UO | C23 H34 O5 | CC[C@H](C).... |
7 | 4UBS | Kd = 65 uM | DIF | C14 H11 Cl2 N O2 | c1ccc(c(c1.... |
8 | 5L1O | Kd = 7.2 uM | 7PF | C15 H18 O5 | CC1(C[C@H].... |
9 | 5L1U | Kd = 340 uM | 7PF | C15 H18 O5 | CC1(C[C@H].... |
10 | 5L1S | Kd = 160 uM | 7PF | C15 H18 O5 | CC1(C[C@H].... |
11 | 5L1V | Kd = 43 uM | 7PF | C15 H18 O5 | CC1(C[C@H].... |
12 | 5L1Q | Kd = 170 uM | 7DF | C15 H20 O5 | CC1(C[C@H].... |
13 | 5L1P | - | 7PT | C15 H16 O5 | C[C@H]1[C@.... |
14 | 2NZ5 | Kd = 10.5 uM | 226 | C10 H8 O5 | c1c(cc(c2c.... |
15 | 5IT1 | - | 2OH | C15 H16 O2 | CC(C)(c1cc.... |
16 | 2WI9 | Kd = 309 uM | 1D2 | C20 H39 N O3 | C[C@@H]1C[.... |
17 | 2VZM | Kd = 171.9 uM | NRB | C28 H47 N O7 | CC[C@@H]1[.... |
18 | 4B7S | Kd = 81 uM | QLE | C22 H37 N O5 | CC[C@@H]1[.... |
19 | 3ZK5 | Kd = 118 uM | Z18 | C21 H35 N O5 | CC[C@@H]1[.... |
20 | 5X7E | - | 7ZU | C28 H44 O3 | C[C@H](/C=.... |
21 | 2ZBZ | - | VDX | C27 H44 O3 | C[C@H](CCC.... |
22 | 3CV9 | - | VDX | C27 H44 O3 | C[C@H](CCC.... |
23 | 2XBK | Kd = 4 uM | XBK | C33 H47 N O12 | C[C@@H]1CC.... |
24 | 6ZI7 | - | QR8 | C20 H36 O6 | C[C@H]1C[C.... |
25 | 6ZHZ | - | QR8 | C20 H36 O6 | C[C@H]1C[C.... |
26 | 6ZI3 | - | DEB | C21 H38 O6 | CC[C@@H]1[.... |
27 | 6M4P | - | F4O | C40 H53 N O14 | Cc1c2c(c3c.... |
28 | 1Z8Q | - | DEB | C21 H38 O6 | CC[C@@H]1[.... |
29 | 1Z8P | - | DEB | C21 H38 O6 | CC[C@@H]1[.... |
30 | 1JIN | - | KTN | C26 H28 Cl2 N4 O4 | CC(=O)N1CC.... |
31 | 1JIO | - | DEB | C21 H38 O6 | CC[C@@H]1[.... |
32 | 1Z8O | - | DEB | C21 H38 O6 | CC[C@@H]1[.... |
33 | 1S1F | - | PIM | C9 H8 N2 | c1ccc(cc1).... |
34 | 2D09 | Kd = 7.3 uM | FLV | C10 H6 O5 | c1c(cc(c2c.... |
35 | 1T93 | - | FLV | C10 H6 O5 | c1c(cc(c2c.... |
36 | 2D0E | Kd = 43 uM | NQ | C10 H6 O3 | c1ccc2c(c1.... |
37 | 1XQD | Kd = 0.07 mM | DND | C21 H27 N6 O15 P2 | c1cc(c[n+].... |
38 | 6GK6 | Kd = 2.1 uM | MYR | C14 H28 O2 | CCCCCCCCCC.... |
39 | 5L91 | Kd = 91 uM | C0R | C21 H30 O4 | C[C@]12CCC.... |
40 | 5L94 | Kd = 105 uM | TES | C19 H28 O2 | C[C@]12CC[.... |
41 | 4AW3 | - | MYV | C37 H61 N O12 | CC[C@@H]1[.... |
42 | 2Y5N | - | MYV | C37 H61 N O12 | CC[C@@H]1[.... |
43 | 3ZSN | - | MIV | C37 H61 N O11 | CC[C@@H]1[.... |
44 | 2Y98 | - | MIV | C37 H61 N O11 | CC[C@@H]1[.... |
45 | 2Y5Z | - | ZM3 | C36 H59 N O11 | CC[C@@H]1[.... |
46 | 2YCA | - | ZM3 | C36 H59 N O11 | CC[C@@H]1[.... |
47 | 2Y46 | - | MIV | C37 H61 N O11 | CC[C@@H]1[.... |
48 | 3WVS | - | RRM | C32 H48 O7 | CCCC[C@H]1.... |
49 | 6TO2 | Kd = 20 nM | NQ8 | C19 H30 O | C[C@@]12CC.... |
50 | 4J6C | - | STR | C21 H30 O2 | CC(=O)[C@H.... |
51 | 4JBT | - | ASD | C19 H26 O2 | C[C@]12CCC.... |
52 | 4J6B | - | PLO | C21 H32 O2 | CC(=O)[C@H.... |
53 | 4J6D | - | TES | C19 H28 O2 | C[C@]12CC[.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 6JD | 0.9733 |
2 | H48 | 0.9702 |
3 | DBE | 0.9597 |
4 | GVQ | 0.9551 |
5 | SFY | 0.9527 |
6 | VJP | 0.9503 |
7 | 4EU | 0.9498 |
8 | YTZ | 0.9477 |
9 | S46 | 0.9409 |
10 | RV1 | 0.9401 |
11 | 0D1 | 0.9395 |
12 | 0QR | 0.9392 |
13 | 22F | 0.9388 |
14 | CUT | 0.9371 |
15 | A8K | 0.9359 |
16 | 08D | 0.9328 |
17 | 27M | 0.9315 |
18 | 0OY | 0.9312 |
19 | BZQ | 0.9249 |
20 | C6Z | 0.9244 |
21 | 27N | 0.9236 |
22 | 8OB | 0.9235 |
23 | 8OE | 0.9234 |
24 | TBL | 0.9216 |
25 | B2K | 0.9206 |
26 | PZX | 0.9194 |
27 | J4K | 0.9190 |
28 | TQL | 0.9172 |
29 | 6WT | 0.9156 |
30 | DCN | 0.9146 |
31 | HX8 | 0.9144 |
32 | CUH | 0.9144 |
33 | BZM | 0.9139 |
34 | AXZ | 0.9138 |
35 | XDH | 0.9138 |
36 | DP4 | 0.9135 |
37 | 11X | 0.9132 |
38 | P3Z | 0.9130 |
39 | 6WS | 0.9127 |
40 | OJD | 0.9110 |
41 | 0OL | 0.9106 |
42 | 2JX | 0.9093 |
43 | 0UT | 0.9089 |
44 | S0F | 0.9088 |
45 | 7Y3 | 0.9086 |
46 | DI9 | 0.9076 |
47 | TCL | 0.9073 |
48 | XI7 | 0.9073 |
49 | 5R8 | 0.9072 |
50 | WDT | 0.9068 |
51 | PV2 | 0.9066 |
52 | A08 | 0.9063 |
53 | A7Q | 0.9048 |
54 | XDI | 0.9046 |
55 | M5B | 0.9040 |
56 | YIH | 0.9035 |
57 | 5O5 | 0.9035 |
58 | 4FP | 0.9022 |
59 | FB4 | 0.9015 |
60 | M2E | 0.9014 |
61 | MJ5 | 0.9001 |
62 | 62P | 0.8999 |
63 | CH8 | 0.8983 |
64 | KYN | 0.8978 |
65 | PFT | 0.8978 |
66 | 4MP | 0.8977 |
67 | FPL | 0.8972 |
68 | 848 | 0.8970 |
69 | EYY | 0.8970 |
70 | E9P | 0.8967 |
71 | Q8G | 0.8961 |
72 | STS | 0.8952 |
73 | 3VW | 0.8951 |
74 | QTV | 0.8949 |
75 | 2BI | 0.8945 |
76 | 3W1 | 0.8939 |
77 | WCU | 0.8937 |
78 | NAL | 0.8935 |
79 | MEX | 0.8934 |
80 | KPV | 0.8934 |
81 | FT1 | 0.8928 |
82 | 0OM | 0.8921 |
83 | DY8 | 0.8920 |
84 | 3IP | 0.8897 |
85 | 1CM | 0.8896 |
86 | JF5 | 0.8887 |
87 | FT2 | 0.8885 |
88 | 9ME | 0.8884 |
89 | 96Z | 0.8880 |
90 | MYT | 0.8879 |
91 | G8V | 0.8868 |
92 | 3IL | 0.8865 |
93 | NBB | 0.8863 |
94 | FT3 | 0.8860 |
95 | 9VZ | 0.8860 |
96 | 0QA | 0.8857 |
97 | 8PO | 0.8852 |
98 | BGK | 0.8851 |
99 | 9JH | 0.8850 |
100 | LVP | 0.8848 |
101 | 8PL | 0.8842 |
102 | 1U7 | 0.8840 |
103 | W1G | 0.8834 |
104 | EXG | 0.8831 |
105 | AX4 | 0.8826 |
106 | AVO | 0.8825 |
107 | F91 | 0.8823 |
108 | HLP | 0.8823 |
109 | B5A | 0.8817 |
110 | N2Y | 0.8817 |
111 | 2HI | 0.8813 |
112 | SOJ | 0.8812 |
113 | L12 | 0.8812 |
114 | QTG | 0.8807 |
115 | 78U | 0.8804 |
116 | R7T | 0.8802 |
117 | DTR | 0.8799 |
118 | JA3 | 0.8798 |
119 | YUG | 0.8796 |
120 | AUV | 0.8792 |
121 | RE4 | 0.8792 |
122 | AVA | 0.8789 |
123 | LJ4 | 0.8788 |
124 | 5AD | 0.8785 |
125 | 9VQ | 0.8783 |
126 | K48 | 0.8780 |
127 | TRP | 0.8779 |
128 | 3QO | 0.8778 |
129 | 87L | 0.8777 |
130 | VIB | 0.8771 |
131 | D4G | 0.8767 |
132 | YKN | 0.8762 |
133 | M5E | 0.8757 |
134 | AX8 | 0.8744 |
135 | WVV | 0.8742 |
136 | 5C1 | 0.8741 |
137 | KP2 | 0.8740 |
138 | CC5 | 0.8734 |
139 | ISC | 0.8734 |
140 | QTS | 0.8734 |
141 | JOT | 0.8733 |
142 | D8Y | 0.8730 |
143 | D1G | 0.8727 |
144 | TCC | 0.8726 |
145 | LFQ | 0.8719 |
146 | PV1 | 0.8716 |
147 | TYP | 0.8708 |
148 | MQS | 0.8702 |
149 | JE7 | 0.8702 |
150 | 6SY | 0.8697 |
151 | L1T | 0.8695 |
152 | 4WF | 0.8685 |
153 | 69K | 0.8683 |
154 | PYU | 0.8682 |
155 | S7G | 0.8681 |
156 | 4NR | 0.8680 |
157 | TI7 | 0.8678 |
158 | RNK | 0.8675 |
159 | J47 | 0.8674 |
160 | 0OP | 0.8671 |
161 | IT5 | 0.8670 |
162 | IQQ | 0.8667 |
163 | AJ1 | 0.8667 |
164 | FNA | 0.8664 |
165 | ISJ | 0.8662 |
166 | 92Y | 0.8660 |
167 | 7VF | 0.8657 |
168 | 1FE | 0.8654 |
169 | PW1 | 0.8652 |
170 | 36M | 0.8652 |
171 | JSX | 0.8648 |
172 | S1D | 0.8647 |
173 | 5R9 | 0.8646 |
174 | F0C | 0.8645 |
175 | 68B | 0.8644 |
176 | D2S | 0.8644 |
177 | BIE | 0.8642 |
178 | 8CC | 0.8641 |
179 | 5FL | 0.8640 |
180 | SNJ | 0.8637 |
181 | IM4 | 0.8636 |
182 | CUQ | 0.8623 |
183 | NWD | 0.8618 |
184 | X6P | 0.8617 |
185 | IWH | 0.8614 |
186 | PV8 | 0.8612 |
187 | URI | 0.8612 |
188 | 22L | 0.8611 |
189 | IQW | 0.8610 |
190 | 47V | 0.8604 |
191 | ALA GLN | 0.8602 |
192 | Q0K | 0.8601 |
193 | AED | 0.8599 |
194 | YIE | 0.8592 |
195 | BC3 | 0.8588 |
196 | 43F | 0.8584 |
197 | 1ER | 0.8583 |
198 | HPF | 0.8582 |
199 | 9W5 | 0.8578 |
200 | 4KN | 0.8575 |
201 | L5D | 0.8572 |
202 | 5F8 | 0.8571 |
203 | NPG | 0.8565 |
204 | DA3 | 0.8560 |
205 | XYS XYS | 0.8547 |
206 | NWL | 0.8546 |
207 | FCD | 0.8534 |
208 | GNR | 0.8531 |
This union binding pocket(no: 1) in the query (biounit: 3aba.bio1) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |