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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 | NDR | 0.9737 |
2 | 17M | 0.9729 |
3 | 6VW | 0.9626 |
4 | ESR | 0.9618 |
5 | DHT | 0.9600 |
6 | EST | 0.9594 |
7 | AON | 0.9556 |
8 | ASD | 0.9543 |
9 | NOG | 0.9534 |
10 | EQU | 0.9521 |
11 | 5SD | 0.9512 |
12 | AOM | 0.9511 |
13 | TES | 0.9499 |
14 | J3Z | 0.9456 |
15 | AOX | 0.9448 |
16 | AND | 0.9444 |
17 | ANB | 0.9440 |
18 | 3WF | 0.9438 |
19 | AOI | 0.9414 |
20 | FFA | 0.9379 |
21 | ECS | 0.9295 |
22 | NQ8 | 0.9281 |
23 | ESL | 0.9256 |
24 | ESZ | 0.9250 |
25 | STR | 0.9248 |
26 | PLO | 0.9170 |
27 | CUE | 0.9168 |
28 | ANO | 0.9159 |
29 | BDT | 0.9132 |
30 | 18E | 0.9037 |
31 | 1DR | 0.9033 |
32 | 6ZE | 0.9014 |
33 | CX6 | 0.8976 |
34 | 8SK | 0.8946 |
35 | PIC | 0.8935 |
36 | 0OK | 0.8925 |
37 | ESM | 0.8917 |
38 | HCY | 0.8904 |
39 | 1CA | 0.8886 |
40 | NDD | 0.8880 |
41 | 1V3 | 0.8874 |
42 | GEN | 0.8862 |
43 | CI2 | 0.8859 |
44 | RHN | 0.8851 |
45 | PDN | 0.8850 |
46 | M3F | 0.8841 |
47 | 397 | 0.8840 |
48 | IXM | 0.8836 |
49 | 272 | 0.8834 |
50 | 7G0 | 0.8827 |
51 | EES | 0.8826 |
52 | DX2 | 0.8814 |
53 | D9Z | 0.8812 |
54 | JF8 | 0.8806 |
55 | NPX | 0.8790 |
56 | 1V4 | 0.8789 |
57 | XYP XYP | 0.8784 |
58 | JOB | 0.8782 |
59 | AP6 | 0.8779 |
60 | AQN | 0.8773 |
61 | W23 | 0.8773 |
62 | DFL | 0.8771 |
63 | BRY | 0.8769 |
64 | 0DF | 0.8767 |
65 | 20D | 0.8766 |
66 | WG8 | 0.8763 |
67 | NRA | 0.8758 |
68 | C0R | 0.8757 |
69 | EED | 0.8755 |
70 | 5OR | 0.8752 |
71 | ZK5 | 0.8749 |
72 | QS4 | 0.8745 |
73 | E6Q | 0.8743 |
74 | WV7 | 0.8742 |
75 | LFN | 0.8740 |
76 | 1V8 | 0.8739 |
77 | Q0K | 0.8733 |
78 | 0LA | 0.8733 |
79 | PRL | 0.8733 |
80 | DX7 | 0.8727 |
81 | RSV | 0.8726 |
82 | 26A | 0.8721 |
83 | WLH | 0.8716 |
84 | 6BK | 0.8715 |
85 | H52 | 0.8714 |
86 | 1HP | 0.8710 |
87 | YZ9 | 0.8708 |
88 | 1V1 | 0.8707 |
89 | AZN | 0.8707 |
90 | 0UL | 0.8703 |
91 | K7H | 0.8702 |
92 | 40N | 0.8700 |
93 | 5XL | 0.8697 |
94 | PIQ | 0.8696 |
95 | BIH | 0.8693 |
96 | A73 | 0.8693 |
97 | 0J4 | 0.8693 |
98 | CHQ | 0.8691 |
99 | X2M | 0.8690 |
100 | 0FR | 0.8688 |
101 | 4CN | 0.8688 |
102 | 124 | 0.8683 |
103 | 6QT | 0.8680 |
104 | 47X | 0.8673 |
105 | DY9 | 0.8672 |
106 | 25F | 0.8671 |
107 | OLU | 0.8670 |
108 | 789 | 0.8665 |
109 | AS4 | 0.8665 |
110 | AO | 0.8665 |
111 | SAU | 0.8664 |
112 | A5Q | 0.8664 |
113 | MBT | 0.8664 |
114 | 2WU | 0.8663 |
115 | 120 | 0.8661 |
116 | JRO | 0.8660 |
117 | 1FL | 0.8659 |
118 | S98 | 0.8659 |
119 | TUA | 0.8658 |
120 | VUP | 0.8657 |
121 | 1XS | 0.8653 |
122 | TKT | 0.8650 |
123 | BMZ | 0.8644 |
124 | 1WO | 0.8643 |
125 | XYS XYS | 0.8641 |
126 | SZ5 | 0.8637 |
127 | 801 | 0.8635 |
128 | HH6 | 0.8631 |
129 | 79X | 0.8627 |
130 | 5VU | 0.8627 |
131 | SDN | 0.8620 |
132 | 2JX | 0.8617 |
133 | 4ZF | 0.8617 |
134 | 3UG | 0.8613 |
135 | 3F4 | 0.8611 |
136 | CR4 | 0.8602 |
137 | 6JO | 0.8601 |
138 | NPS | 0.8597 |
139 | HNT | 0.8592 |
140 | HMX | 0.8589 |
141 | 2GQ | 0.8585 |
142 | XYS XYP | 0.8582 |
143 | ZTW | 0.8579 |
144 | 6WL | 0.8570 |
145 | JAD | 0.8568 |
146 | 5ER | 0.8565 |
147 | F4U | 0.8562 |
148 | 39Z | 0.8559 |
149 | 4AU | 0.8559 |
150 | HUL | 0.8551 |
151 | LI7 | 0.8544 |
152 | 651 | 0.8535 |
153 | 6FB | 0.8533 |
154 | H4B | 0.8527 |
155 | T1N | 0.8526 |
156 | AGI | 0.8519 |
157 | 6JM | 0.8511 |
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 |