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- 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 | NU3 | 0.9070 |
2 | ZRL | 0.9064 |
3 | 6TJ | 0.9059 |
4 | UAY | 0.9035 |
5 | NEU | 0.9030 |
6 | 5NN | 0.9019 |
7 | 6BK | 0.9012 |
8 | AP6 | 0.9011 |
9 | H4B | 0.9004 |
10 | 5WT | 0.8998 |
11 | H32 | 0.8997 |
12 | AGI | 0.8996 |
13 | YEX | 0.8993 |
14 | 8M5 | 0.8976 |
15 | DE7 | 0.8964 |
16 | 3GX | 0.8962 |
17 | 2QU | 0.8952 |
18 | MBP | 0.8943 |
19 | 3WL | 0.8942 |
20 | O9Z | 0.8934 |
21 | 697 | 0.8929 |
22 | DT7 | 0.8917 |
23 | ZSP | 0.8916 |
24 | 22T | 0.8916 |
25 | CDJ | 0.8908 |
26 | M3W | 0.8907 |
27 | CMG | 0.8904 |
28 | GEN | 0.8897 |
29 | QR2 | 0.8894 |
30 | GA2 | 0.8893 |
31 | ZRK | 0.8892 |
32 | KLV | 0.8882 |
33 | H2W | 0.8880 |
34 | VT3 | 0.8876 |
35 | 3JC | 0.8874 |
36 | DX2 | 0.8871 |
37 | 57D | 0.8869 |
38 | 041 | 0.8866 |
39 | W8L | 0.8866 |
40 | SQM | 0.8865 |
41 | X8E | 0.8861 |
42 | BHS | 0.8856 |
43 | E6Q | 0.8856 |
44 | CHQ | 0.8854 |
45 | 2QV | 0.8851 |
46 | 92O | 0.8847 |
47 | 0SY | 0.8844 |
48 | PE2 | 0.8843 |
49 | E9L | 0.8842 |
50 | X0T | 0.8833 |
51 | NIY | 0.8833 |
52 | O9T | 0.8831 |
53 | UN4 | 0.8829 |
54 | M3F | 0.8825 |
55 | 4L2 | 0.8822 |
56 | AQN | 0.8818 |
57 | 4F8 | 0.8815 |
58 | 1QV | 0.8814 |
59 | RGK | 0.8812 |
60 | AUY | 0.8811 |
61 | PIQ | 0.8810 |
62 | LU2 | 0.8808 |
63 | IDD | 0.8803 |
64 | H35 | 0.8801 |
65 | 1Q4 | 0.8801 |
66 | 5CX | 0.8800 |
67 | CWE | 0.8796 |
68 | NYJ | 0.8795 |
69 | OA4 | 0.8793 |
70 | 20D | 0.8791 |
71 | ZEA | 0.8790 |
72 | O9Q | 0.8790 |
73 | BIO | 0.8788 |
74 | 7A9 | 0.8786 |
75 | FSU | 0.8785 |
76 | KMP | 0.8781 |
77 | NEO | 0.8781 |
78 | 2WU | 0.8777 |
79 | SSY | 0.8775 |
80 | ZHA | 0.8773 |
81 | IK1 | 0.8771 |
82 | DFL | 0.8770 |
83 | G6P | 0.8769 |
84 | MUX | 0.8762 |
85 | BJ4 | 0.8761 |
86 | WG8 | 0.8759 |
87 | Q9T | 0.8759 |
88 | 4ZF | 0.8758 |
89 | 2PW | 0.8757 |
90 | WLH | 0.8756 |
91 | K8Y | 0.8752 |
92 | L3L | 0.8748 |
93 | 5XL | 0.8746 |
94 | 5XM | 0.8743 |
95 | S98 | 0.8740 |
96 | 0DF | 0.8737 |
97 | 1FL | 0.8736 |
98 | FER | 0.8734 |
99 | IKY | 0.8732 |
100 | 4AB | 0.8727 |
101 | SZ5 | 0.8726 |
102 | QUE | 0.8726 |
103 | HBI | 0.8725 |
104 | 1V1 | 0.8722 |
105 | F40 | 0.8722 |
106 | 5B2 | 0.8719 |
107 | H2B | 0.8718 |
108 | EDZ | 0.8717 |
109 | LUM | 0.8715 |
110 | 3D3 | 0.8715 |
111 | 244 | 0.8713 |
112 | 5ZM | 0.8713 |
113 | MFR | 0.8712 |
114 | SGW | 0.8711 |
115 | U19 | 0.8711 |
116 | 78P | 0.8709 |
117 | FYR | 0.8706 |
118 | CG | 0.8705 |
119 | 5P3 | 0.8704 |
120 | 34L | 0.8703 |
121 | BG6 | 0.8693 |
122 | DXK | 0.8690 |
123 | QC1 | 0.8689 |
124 | 3D8 | 0.8687 |
125 | MHB | 0.8684 |
126 | 3F4 | 0.8681 |
127 | 3WK | 0.8678 |
128 | DNQ | 0.8675 |
129 | TQ1 | 0.8670 |
130 | 5WM | 0.8669 |
131 | D64 | 0.8664 |
132 | 5E1 | 0.8662 |
133 | 1DR | 0.8656 |
134 | HRD | 0.8652 |
135 | 64F | 0.8651 |
136 | 8SK | 0.8645 |
137 | GJK | 0.8642 |
138 | 5E5 | 0.8637 |
139 | RDT | 0.8636 |
140 | EMU | 0.8635 |
141 | BGU | 0.8633 |
142 | AC2 | 0.8632 |
143 | DT9 | 0.8632 |
144 | YE7 | 0.8631 |
145 | 3WJ | 0.8626 |
146 | 8G6 | 0.8626 |
147 | PJK | 0.8621 |
148 | FNT | 0.8618 |
149 | S60 | 0.8616 |
150 | NRA | 0.8615 |
151 | FY8 | 0.8612 |
152 | B61 | 0.8607 |
153 | GNG | 0.8602 |
154 | GVI | 0.8602 |
155 | LFN | 0.8602 |
156 | CX6 | 0.8602 |
157 | 3Y7 | 0.8601 |
158 | 18E | 0.8601 |
159 | M9K | 0.8598 |
160 | P4L | 0.8596 |
161 | LOT | 0.8595 |
162 | CC6 | 0.8595 |
163 | 2AN | 0.8593 |
164 | R4E | 0.8590 |
165 | B2L | 0.8584 |
166 | UL1 | 0.8583 |
167 | 7L4 | 0.8582 |
168 | 9OF | 0.8579 |
169 | PBG | 0.8563 |
170 | JF8 | 0.8553 |
171 | WUB | 0.8552 |
172 | 8HH | 0.8550 |
173 | G2V | 0.8538 |
174 | 5WS | 0.8535 |
175 | 56N | 0.8531 |
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 |