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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 214 families. | |||||
1 | 5JJM | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
2 | 1T7M | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
3 | 1T65 | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
4 | 1T5Z | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
5 | 2Q7K | - | TES | C19 H28 O2 | C[C@]12CC[.... |
6 | 4OKT | - | 198 | C18 H14 F4 N2 O4 S | C[C@](CS(=.... |
7 | 3V4A | - | PK1 | C17 H14 Cl2 N2 O2 S | C[C@]1(C(=.... |
8 | 1T7F | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
9 | 1T74 | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
10 | 3V49 | ic50 = 9.6 nM | PK0 | C19 H14 F3 N3 O3 | C[C@]1(C(=.... |
11 | 4OH5 | - | HFT | C11 H11 F3 N2 O4 | CC(C)(C(=O.... |
12 | 4OKW | - | 198 | C18 H14 F4 N2 O4 S | C[C@](CS(=.... |
13 | 2Q7L | - | TES | C19 H28 O2 | C[C@]12CC[.... |
14 | 4OK1 | - | 198 | C18 H14 F4 N2 O4 S | C[C@](CS(=.... |
15 | 4OEZ | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
16 | 3L3X | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
17 | 1T73 | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
18 | 2Q7I | - | TES | C19 H28 O2 | C[C@]12CC[.... |
19 | 4OEY | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
20 | 1T7R | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
21 | 2Q7J | - | TES | C19 H28 O2 | C[C@]12CC[.... |
22 | 2AO6 | - | R18 | C19 H24 O2 | C[C@@]1(CC.... |
23 | 4OFR | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
24 | 3L3Z | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
25 | 4OFU | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
26 | 1T63 | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
27 | 1XOW | - | R18 | C19 H24 O2 | C[C@@]1(CC.... |
28 | 1T76 | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
29 | 4OKX | - | 198 | C18 H14 F4 N2 O4 S | C[C@](CS(=.... |
30 | 4OHA | - | HFT | C11 H11 F3 N2 O4 | CC(C)(C(=O.... |
31 | 1T79 | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
32 | 2OVH | ic50 = 1 nM | AS0 | C28 H35 N O4 | C[C@]12C[C.... |
33 | 4OAR | ic50 = 0.038 nM | 2S0 | C30 H37 N O4 | CC(=O)[C@].... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 181 families. | |||||
1 | 5JJM | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
2 | 1T7M | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
3 | 1T65 | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
4 | 1T5Z | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
5 | 2Q7K | - | TES | C19 H28 O2 | C[C@]12CC[.... |
6 | 4OKT | - | 198 | C18 H14 F4 N2 O4 S | C[C@](CS(=.... |
7 | 3V4A | - | PK1 | C17 H14 Cl2 N2 O2 S | C[C@]1(C(=.... |
8 | 1T7F | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
9 | 1T74 | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
10 | 3V49 | ic50 = 9.6 nM | PK0 | C19 H14 F3 N3 O3 | C[C@]1(C(=.... |
11 | 4OH5 | - | HFT | C11 H11 F3 N2 O4 | CC(C)(C(=O.... |
12 | 4OKW | - | 198 | C18 H14 F4 N2 O4 S | C[C@](CS(=.... |
13 | 2Q7L | - | TES | C19 H28 O2 | C[C@]12CC[.... |
14 | 4OK1 | - | 198 | C18 H14 F4 N2 O4 S | C[C@](CS(=.... |
15 | 4OEZ | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
16 | 3L3X | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
17 | 1T73 | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
18 | 2Q7I | - | TES | C19 H28 O2 | C[C@]12CC[.... |
19 | 4OEY | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
20 | 1T7R | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
21 | 2Q7J | - | TES | C19 H28 O2 | C[C@]12CC[.... |
22 | 2AO6 | - | R18 | C19 H24 O2 | C[C@@]1(CC.... |
23 | 4OFR | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
24 | 3L3Z | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
25 | 4OFU | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
26 | 1T63 | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
27 | 1XOW | - | R18 | C19 H24 O2 | C[C@@]1(CC.... |
28 | 1T76 | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
29 | 4OKX | - | 198 | C18 H14 F4 N2 O4 S | C[C@](CS(=.... |
30 | 4OHA | - | HFT | C11 H11 F3 N2 O4 | CC(C)(C(=O.... |
31 | 1T79 | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
32 | 4E2J | - | MOF | C27 H30 Cl2 O6 | C[C@@H]1C[.... |
33 | 4P6W | Ki = 0.7 nM | MOF | C27 H30 Cl2 O6 | C[C@@H]1C[.... |
34 | 5UFS | Ki = 3.2 nM | 1TA | C24 H31 F O6 | C[C@]12C[C.... |
35 | 6W9M | - | TUV | C22 H28 O4 | C[C@@H]1C[.... |
36 | 4UDB | Ki = 0.18 nM | CV7 | C28 H38 O6 | C[C@]12C[C.... |
37 | 4UDA | Ki = 6.3 nM | DEX | C22 H29 F O5 | C[C@@H]1C[.... |
38 | 5MWY | Ki = 100 nM | YNU | C24 H30 O6 | C[C@]12CCC.... |
39 | 5MWP | Ki = 31.6 nM | ECV | C20 H18 F N3 O5 | CNC(=O)C[C.... |
40 | 6GG8 | Ki = 0.79 nM | EY8 | C18 H16 F N3 O6 S | c1cc2c(cc1.... |
41 | 6GGG | Ki = 0.63 nM | EYN | C24 H26 F N3 O5 | CC(C)Cc1cc.... |
42 | 6GEV | Ki = 1.9 nM | EWN | C21 H21 F N2 O4 | CC(C)C[C@H.... |
43 | 1M2Z | - | DEX | C22 H29 F O5 | C[C@@H]1C[.... |
44 | 3K22 | - | JZS | C22 H21 F6 N5 O3 | Cc1cc(c2cn.... |
45 | 3MNO | - | DEX | C22 H29 F O5 | C[C@@H]1C[.... |
46 | 3E7C | - | 866 | C23 H21 Cl2 F4 N5 O3 | CCN(C[C@@].... |
47 | 4P6X | Ki = 91 nM | HCY | C21 H30 O5 | C[C@]12CCC.... |
48 | 3MNP | - | DEX | C22 H29 F O5 | C[C@@H]1C[.... |
49 | 3MNE | - | DEX | C22 H29 F O5 | C[C@@H]1C[.... |
50 | 2A3I | - | C0R | C21 H30 O4 | C[C@]12CCC.... |
51 | 4UDC | - | DEX | C22 H29 F O5 | C[C@@H]1C[.... |
52 | 5NFT | - | 8W8 | C25 H21 F4 N3 O3 | C[C@@H]([C.... |
53 | 5G5W | ic50 = 0.0027 uM | R8C | C24 H19 F4 N3 O2 | C[C@@H]([C.... |
54 | 4CSJ | ic50 = 4.9 nM | NN7 | C25 H27 F N4 O2 S | Cc1cc(c(c(.... |
55 | 6EL7 | - | B9T | C20 H19 Br F2 N4 O2 | C[C@@H]([C.... |
56 | 5NFP | - | 8W5 | C25 H34 O6 | CCC[C@@H]1.... |
57 | 4UDD | - | CV7 | C28 H38 O6 | C[C@]12C[C.... |
58 | 6EL9 | ic50 = 3.8 nM | B9W | C27 H28 F2 N4 O3 | CC(C)[C@@H.... |
59 | 6EL6 | ic50 = 6.3 nM | B9Q | C26 H25 F N4 O3 | C[C@@H]([C.... |
60 | 5G3J | ic50 = 63 nM | E7T | C22 H19 F5 N2 O3 | CC[C@@H]1C.... |
61 | 6NWL | Ki = 43 nM | HCY | C21 H30 O5 | C[C@]12CCC.... |
62 | 6W9L | - | TUS | C23 H29 N O5 | CC1=N[C@@].... |
63 | 6NWK | Ki = 20 nM | DEX | C22 H29 F O5 | C[C@@H]1C[.... |
64 | 3GN8 | - | DEX | C22 H29 F O5 | C[C@@H]1C[.... |
65 | 2OVH | ic50 = 1 nM | AS0 | C28 H35 N O4 | C[C@]12C[C.... |
66 | 4OAR | ic50 = 0.038 nM | 2S0 | C30 H37 N O4 | CC(=O)[C@].... |
67 | 4LSJ | Ki = 0.268 nM | LSJ | C25 H25 N O4 S | CC/C(=C/1c.... |
68 | 3BQD | - | DAY | C30 H36 N2 O4 | C[C@@H]1C[.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | DHT | 1.0000 |
2 | 5SD | 0.9966 |
3 | AOM | 0.9948 |
4 | ANB | 0.9945 |
5 | AND | 0.9942 |
6 | AOX | 0.9900 |
7 | AOI | 0.9887 |
8 | NQ8 | 0.9794 |
9 | ANO | 0.9744 |
10 | AON | 0.9739 |
11 | ESR | 0.9671 |
12 | BDT | 0.9639 |
13 | PLO | 0.9572 |
14 | EST | 0.9542 |
15 | J3Z | 0.9506 |
16 | R18 | 0.9499 |
17 | EQU | 0.9480 |
18 | 17M | 0.9356 |
19 | NDR | 0.9258 |
20 | CI2 | 0.9246 |
21 | CUE | 0.9225 |
22 | ESZ | 0.9190 |
23 | ECS | 0.9170 |
24 | ESL | 0.9145 |
25 | C0R | 0.9122 |
26 | NOG | 0.9110 |
27 | CX6 | 0.9076 |
28 | GEN | 0.9069 |
29 | AS4 | 0.9042 |
30 | PDN | 0.9030 |
31 | 17H | 0.9022 |
32 | 397 | 0.9010 |
33 | HCY | 0.8999 |
34 | E6Q | 0.8976 |
35 | 272 | 0.8964 |
36 | 1DR | 0.8959 |
37 | XYP XYP | 0.8938 |
38 | 4CN | 0.8923 |
39 | EES | 0.8918 |
40 | TUA | 0.8917 |
41 | DX2 | 0.8913 |
42 | IXM | 0.8900 |
43 | ZK5 | 0.8894 |
44 | DX7 | 0.8892 |
45 | 8SK | 0.8884 |
46 | 9CE | 0.8874 |
47 | ESM | 0.8872 |
48 | 18E | 0.8860 |
49 | SDN | 0.8860 |
50 | X2M | 0.8840 |
51 | DFL | 0.8840 |
52 | BRY | 0.8838 |
53 | M3F | 0.8838 |
54 | 1V4 | 0.8830 |
55 | 4FC | 0.8825 |
56 | HH6 | 0.8823 |
57 | 1FL | 0.8823 |
58 | 3WF | 0.8822 |
59 | K7H | 0.8821 |
60 | ADL | 0.8820 |
61 | PRL | 0.8814 |
62 | 0UL | 0.8810 |
63 | 6DQ | 0.8802 |
64 | YZ9 | 0.8792 |
65 | EED | 0.8791 |
66 | L2K | 0.8790 |
67 | 0FR | 0.8790 |
68 | AP6 | 0.8789 |
69 | 7EH | 0.8782 |
70 | 1V1 | 0.8779 |
71 | PIQ | 0.8779 |
72 | 0NJ | 0.8776 |
73 | A73 | 0.8774 |
74 | 20D | 0.8771 |
75 | 3F4 | 0.8770 |
76 | 79X | 0.8770 |
77 | TUV | 0.8765 |
78 | 7G0 | 0.8758 |
79 | NKI | 0.8757 |
80 | XYS XYS | 0.8756 |
81 | 0DF | 0.8755 |
82 | RHN | 0.8755 |
83 | QNM | 0.8754 |
84 | DEX | 0.8752 |
85 | NRA | 0.8752 |
86 | 1HP | 0.8747 |
87 | MBT | 0.8744 |
88 | NDD | 0.8741 |
89 | 39Z | 0.8740 |
90 | WLH | 0.8735 |
91 | 25F | 0.8733 |
92 | G2V | 0.8726 |
93 | HNT | 0.8725 |
94 | 4ZF | 0.8723 |
95 | RSV | 0.8721 |
96 | 789 | 0.8718 |
97 | XYS XYP | 0.8717 |
98 | SZ5 | 0.8717 |
99 | LFN | 0.8716 |
100 | WS6 | 0.8713 |
101 | 2WU | 0.8713 |
102 | 5OR | 0.8713 |
103 | 47X | 0.8710 |
104 | 6ZE | 0.8705 |
105 | WG8 | 0.8704 |
106 | 6BK | 0.8700 |
107 | 7G2 | 0.8700 |
108 | S98 | 0.8695 |
109 | 5VU | 0.8692 |
110 | ZSP | 0.8691 |
111 | 120 | 0.8690 |
112 | AQN | 0.8684 |
113 | 6QT | 0.8684 |
114 | 6H2 | 0.8681 |
115 | FT2 | 0.8681 |
116 | VUP | 0.8679 |
117 | 3WL | 0.8678 |
118 | 5XL | 0.8677 |
119 | 1YL | 0.8675 |
120 | LUM | 0.8672 |
121 | 1V8 | 0.8670 |
122 | 2GQ | 0.8667 |
123 | DY9 | 0.8666 |
124 | M3W | 0.8665 |
125 | F40 | 0.8664 |
126 | FYR | 0.8664 |
127 | CR4 | 0.8661 |
128 | 1TJ | 0.8660 |
129 | D9Z | 0.8659 |
130 | 30Q | 0.8659 |
131 | LI7 | 0.8658 |
132 | 801 | 0.8658 |
133 | OA4 | 0.8642 |
134 | DX8 | 0.8641 |
135 | WV7 | 0.8640 |
136 | OLU | 0.8639 |
137 | H4B | 0.8637 |
138 | Z21 | 0.8636 |
139 | BMZ | 0.8630 |
140 | UAY | 0.8629 |
141 | 5ER | 0.8628 |
142 | 9KZ | 0.8627 |
143 | IQZ | 0.8626 |
144 | Q0K | 0.8626 |
145 | 7FZ | 0.8622 |
146 | 124 | 0.8622 |
147 | WS7 | 0.8622 |
148 | CHQ | 0.8619 |
149 | JF8 | 0.8619 |
150 | 5S9 | 0.8619 |
151 | 2V4 | 0.8618 |
152 | ADN | 0.8617 |
153 | 1EL | 0.8616 |
154 | 1CE | 0.8615 |
155 | BIO | 0.8613 |
156 | 1N7 | 0.8609 |
157 | AZN | 0.8603 |
158 | 122 | 0.8600 |
159 | QUE | 0.8596 |
160 | NYJ | 0.8594 |
161 | V13 | 0.8593 |
162 | JRO | 0.8590 |
163 | II4 | 0.8590 |
164 | 9JT | 0.8590 |
165 | VT3 | 0.8589 |
166 | 5AD | 0.8589 |
167 | IDZ | 0.8587 |
168 | QS4 | 0.8575 |
169 | 16G | 0.8574 |
170 | 0LA | 0.8573 |
171 | BIH | 0.8570 |
172 | E9L | 0.8568 |
173 | 1XS | 0.8564 |
174 | 6JM | 0.8562 |
175 | 08C | 0.8561 |
176 | TFX | 0.8559 |
177 | H2W | 0.8554 |
178 | YE6 | 0.8550 |
179 | GAL FUC | 0.8546 |
180 | RDT | 0.8540 |
181 | ZTW | 0.8538 |
182 | MR4 | 0.8538 |
183 | AD3 | 0.8536 |
184 | 135 | 0.8530 |
185 | SAU | 0.8518 |
186 | 2QV | 0.8518 |
187 | NPX | 0.8516 |
This union binding pocket(no: 1) in the query (biounit: 3v49.bio1) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6RQP | OLC | 6.55022 |
2 | 2QZO | KN1 | 31.0078 |
3 | 2QA8 | GEN | 31.0078 |
4 | 2QA8 | GEN | 31.0078 |
5 | 4TV1 | 36M | 31.0757 |
6 | 4TUZ | 36J | 31.3725 |
7 | 4TUZ | 36J | 31.3725 |
8 | 1YYE | 196 | 31.5789 |
9 | 1YYE | 196 | 31.5789 |
10 | 3UUD | EST | 31.8725 |
11 | 3UUD | EST | 31.8725 |
12 | 3UUD | EST | 31.8725 |
13 | 3UUD | EST | 31.8725 |
14 | 1U3R | 338 | 35.2697 |
15 | 1U3R | 338 | 35.2697 |