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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 | TES | 1.0000 |
2 | AND | 0.9940 |
3 | ASD | 0.9936 |
4 | AOX | 0.9915 |
5 | ANB | 0.9904 |
6 | AOI | 0.9871 |
7 | 6VW | 0.9790 |
8 | FFA | 0.9782 |
9 | ESR | 0.9734 |
10 | EST | 0.9681 |
11 | EQU | 0.9623 |
12 | STR | 0.9621 |
13 | R18 | 0.9600 |
14 | PLO | 0.9574 |
15 | ECS | 0.9521 |
16 | ESL | 0.9471 |
17 | J3Z | 0.9471 |
18 | 17M | 0.9439 |
19 | ESZ | 0.9348 |
20 | NDR | 0.9318 |
21 | 1CA | 0.9282 |
22 | ESM | 0.9237 |
23 | CUE | 0.9184 |
24 | 17H | 0.9109 |
25 | C0R | 0.9102 |
26 | NOG | 0.9088 |
27 | CX6 | 0.9073 |
28 | 3WF | 0.9060 |
29 | 1DR | 0.9053 |
30 | AS4 | 0.9049 |
31 | PDN | 0.9018 |
32 | XYP XYP | 0.9009 |
33 | TUA | 0.8979 |
34 | 18E | 0.8957 |
35 | HCY | 0.8945 |
36 | GEN | 0.8945 |
37 | 272 | 0.8930 |
38 | IXM | 0.8925 |
39 | 39Z | 0.8925 |
40 | 8SK | 0.8924 |
41 | 0NJ | 0.8903 |
42 | 397 | 0.8901 |
43 | 9CE | 0.8894 |
44 | 0OK | 0.8890 |
45 | DX2 | 0.8885 |
46 | X2M | 0.8883 |
47 | 7G0 | 0.8870 |
48 | ZK5 | 0.8867 |
49 | 3G6 | 0.8865 |
50 | BRY | 0.8865 |
51 | EES | 0.8862 |
52 | SDN | 0.8862 |
53 | 1V4 | 0.8858 |
54 | A73 | 0.8849 |
55 | ADL | 0.8848 |
56 | 1V1 | 0.8848 |
57 | PRL | 0.8845 |
58 | M3F | 0.8839 |
59 | E6Q | 0.8838 |
60 | YZ9 | 0.8838 |
61 | DFL | 0.8836 |
62 | 1FL | 0.8829 |
63 | 6ZE | 0.8827 |
64 | NDD | 0.8821 |
65 | AP6 | 0.8816 |
66 | 20D | 0.8813 |
67 | PIQ | 0.8797 |
68 | NRA | 0.8797 |
69 | RHN | 0.8795 |
70 | 0FR | 0.8793 |
71 | EED | 0.8784 |
72 | DX7 | 0.8780 |
73 | MBT | 0.8779 |
74 | 120 | 0.8777 |
75 | 7G2 | 0.8776 |
76 | 25F | 0.8776 |
77 | 1V3 | 0.8773 |
78 | K7H | 0.8771 |
79 | WG8 | 0.8770 |
80 | 27F | 0.8765 |
81 | OTA | 0.8764 |
82 | HH6 | 0.8764 |
83 | WLH | 0.8756 |
84 | 789 | 0.8755 |
85 | LFN | 0.8755 |
86 | VUP | 0.8750 |
87 | XYS XYS | 0.8749 |
88 | LUM | 0.8741 |
89 | AQN | 0.8736 |
90 | 0UL | 0.8734 |
91 | BMZ | 0.8732 |
92 | 6BK | 0.8731 |
93 | XYS XYP | 0.8729 |
94 | 2WU | 0.8728 |
95 | 1EL | 0.8728 |
96 | 4ZF | 0.8725 |
97 | DEX | 0.8724 |
98 | TUV | 0.8724 |
99 | 1HP | 0.8722 |
100 | D9Z | 0.8722 |
101 | 2GQ | 0.8717 |
102 | 1YL | 0.8714 |
103 | 6QT | 0.8711 |
104 | 801 | 0.8706 |
105 | 4CN | 0.8705 |
106 | 1V8 | 0.8705 |
107 | 5XL | 0.8702 |
108 | 6DQ | 0.8701 |
109 | 5OR | 0.8700 |
110 | 4AU | 0.8700 |
111 | 0DF | 0.8699 |
112 | P4L | 0.8699 |
113 | S98 | 0.8693 |
114 | OLU | 0.8693 |
115 | 79X | 0.8691 |
116 | QUE | 0.8690 |
117 | QS4 | 0.8689 |
118 | Z94 | 0.8688 |
119 | M3W | 0.8684 |
120 | Z21 | 0.8678 |
121 | WV7 | 0.8677 |
122 | CR4 | 0.8675 |
123 | BIH | 0.8675 |
124 | UAY | 0.8674 |
125 | AO | 0.8673 |
126 | 7L4 | 0.8669 |
127 | ZSP | 0.8667 |
128 | LI7 | 0.8661 |
129 | IQZ | 0.8659 |
130 | RSV | 0.8658 |
131 | 1UZ | 0.8658 |
132 | 3F4 | 0.8657 |
133 | JF8 | 0.8657 |
134 | HUL | 0.8654 |
135 | AGI | 0.8654 |
136 | 124 | 0.8648 |
137 | SZ5 | 0.8640 |
138 | 1XS | 0.8638 |
139 | Q0K | 0.8638 |
140 | HNT | 0.8635 |
141 | 0LA | 0.8627 |
142 | 47X | 0.8627 |
143 | F40 | 0.8625 |
144 | 2V4 | 0.8624 |
145 | JRO | 0.8621 |
146 | 6FB | 0.8615 |
147 | 5VU | 0.8613 |
148 | CHQ | 0.8612 |
149 | FT2 | 0.8600 |
150 | V13 | 0.8600 |
151 | E9L | 0.8599 |
152 | BIO | 0.8599 |
153 | 3WL | 0.8598 |
154 | 7FZ | 0.8596 |
155 | CDJ | 0.8592 |
156 | H4B | 0.8591 |
157 | NPX | 0.8581 |
158 | 5ER | 0.8580 |
159 | A9B | 0.8579 |
160 | 2QV | 0.8575 |
161 | 3UG | 0.8574 |
162 | 9JT | 0.8571 |
163 | 30Q | 0.8570 |
164 | HRM | 0.8569 |
165 | SAU | 0.8568 |
166 | CMP | 0.8565 |
167 | WS6 | 0.8564 |
168 | A5Q | 0.8563 |
169 | VT3 | 0.8560 |
170 | II4 | 0.8560 |
171 | ZTW | 0.8538 |
172 | AD3 | 0.8523 |
173 | 5E5 | 0.8523 |
174 | 1CE | 0.8522 |
175 | DY9 | 0.8514 |
176 | 4GU | 0.8509 |
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 |