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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 1331 families. | |||||
1 | 4E99 | - | P8S | C8 H F17 O3 S | C(C(C(C(C(.... |
2 | 1E7G | - | MYR | C14 H28 O2 | CCCCCCCCCC.... |
3 | 2XW1 | - | 9NV | C17 H22 N2 O4 S | CCC[C@@H](.... |
4 | 4L8U | - | 9AZ | C20 H19 N3 O5 | CC[C@](C1=.... |
5 | 2XVV | - | MYR | C14 H28 O2 | CCCCCCCCCC.... |
6 | 2BXK | - | IMN | C19 H16 Cl N O4 | Cc1c(c2cc(.... |
7 | 2BXH | - | IOS | C8 H7 N O4 S | c1ccc2c(c1.... |
8 | 4BKE | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
9 | 1E7A | - | PFL | C12 H18 O | CC(C)c1ccc.... |
10 | 4Z69 | - | DIF | C14 H11 Cl2 N O2 | c1ccc(c(c1.... |
11 | 1HA2 | Kd = 2.9 uM | SWF | C19 H16 O4 | CC(=O)C[C@.... |
12 | 6EZQ | Kd = 14 uM | C7K | C18 H26 N4 O5 | c1cc(c2c(c.... |
13 | 1GNI | Kd = 8.5 nM | OLA | C18 H34 O2 | CCCCCCCCC=.... |
14 | 5ID7 | - | 6A4 | C17 H32 O4 P S2 | CCCCCCCCCC.... |
15 | 6R7S | - | SAS | C18 H14 N4 O5 S | c1ccnc(c1).... |
16 | 2BXA | - | C1F | C12 H16 O5 | CCCc1c(c(c.... |
17 | 4L9K | - | EHF | C20 H18 N2 O5 | CC[C@](C1=.... |
18 | 2BXP | - | P1Z | C19 H20 N2 O2 | CCCCC1C(=O.... |
19 | 2XW0 | - | 9NF | C21 H22 N2 O4 S | CN(C)c1ccc.... |
20 | 1BJ5 | - | MYR | C14 H28 O2 | CCCCCCCCCC.... |
21 | 4IW2 | - | GLC | C6 H12 O6 | C([C@@H]1[.... |
22 | 1E7C | - | MYR | C14 H28 O2 | CCCCCCCCCC.... |
23 | 4LA0 | - | 198 | C18 H14 F4 N2 O4 S | C[C@](CS(=.... |
24 | 1E7F | - | DAO | C12 H24 O2 | CCCCCCCCCC.... |
25 | 6A7P | Ka = 7.51 M^-1 | 9SC | C23 H27 Cl2 N3 O2 | c1cc(c(c(c.... |
26 | 6WUW | - | UAY | C13 H8 N2 O2 S | [H]/N=C1/c.... |
27 | 2BXI | - | MYR | C14 H28 O2 | CCCCCCCCCC.... |
28 | 1E7B | - | HLT | C2 H Br Cl F3 | [C@@H](C(F.... |
29 | 1H9Z | Kd = 3.8 uM | RWF | C19 H16 O4 | CC(=O)C[C@.... |
30 | 1HK4 | Kd = 4.9 uM | T44 | C15 H11 I4 N O4 | c1c(cc(c(c.... |
31 | 2BXM | - | MYR | C14 H28 O2 | CCCCCCCCCC.... |
32 | 1E7E | - | DKA | C10 H20 O2 | CCCCCCCCCC.... |
33 | 1E7H | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
34 | 6XK0 | - | DEX | C22 H29 F O5 | C[C@@H]1C[.... |
35 | 5ID9 | - | 6A4 | C17 H32 O4 P S2 | CCCCCCCCCC.... |
36 | 4J2V | - | DIU | C7 H4 I2 O3 | c1c(cc(c(c.... |
37 | 5DQF | Kd = 253 uM | CZE | C21 H25 Cl N2 O3 | c1ccc(cc1).... |
38 | 4OT2 | - | NPS | C14 H14 O3 | C[C@@H](c1.... |
39 | 5DBY | Ka = 7730000 M^-1 | NPS | C14 H14 O3 | C[C@@H](c1.... |
40 | 4ZBQ | Ka = 39000 M^-1 | DIF | C14 H11 Cl2 N O2 | c1ccc(c(c1.... |
41 | 6OCJ | Ka = 41100 M^-1 | M5A | C14 H12 O3 S | C[C@@H](c1.... |
42 | 4ZBR | Ka = 39000 M^-1 | DIF | C14 H11 Cl2 N O2 | c1ccc(c(c1.... |
43 | 6OCK | Ka = 20400 M^-1 | 9KL | C16 H14 O3 | C[C@@H](c1.... |
44 | 6OCL | Ka = 63000 M^-1 | M5A | C14 H12 O3 S | C[C@@H](c1.... |
45 | 5OTB | - | PRO | C5 H9 N O2 | C1C[C@H](N.... |
46 | 5OSW | - | DIU | C7 H4 I2 O3 | c1c(cc(c(c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 4E99 | - | P8S | C8 H F17 O3 S | C(C(C(C(C(.... |
2 | 1E7G | - | MYR | C14 H28 O2 | CCCCCCCCCC.... |
3 | 2XW1 | - | 9NV | C17 H22 N2 O4 S | CCC[C@@H](.... |
4 | 4L8U | - | 9AZ | C20 H19 N3 O5 | CC[C@](C1=.... |
5 | 2XVV | - | MYR | C14 H28 O2 | CCCCCCCCCC.... |
6 | 2BXK | - | IMN | C19 H16 Cl N O4 | Cc1c(c2cc(.... |
7 | 2BXH | - | IOS | C8 H7 N O4 S | c1ccc2c(c1.... |
8 | 4BKE | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
9 | 1E7A | - | PFL | C12 H18 O | CC(C)c1ccc.... |
10 | 4Z69 | - | DIF | C14 H11 Cl2 N O2 | c1ccc(c(c1.... |
11 | 1HA2 | Kd = 2.9 uM | SWF | C19 H16 O4 | CC(=O)C[C@.... |
12 | 6EZQ | Kd = 14 uM | C7K | C18 H26 N4 O5 | c1cc(c2c(c.... |
13 | 1GNI | Kd = 8.5 nM | OLA | C18 H34 O2 | CCCCCCCCC=.... |
14 | 5ID7 | - | 6A4 | C17 H32 O4 P S2 | CCCCCCCCCC.... |
15 | 6R7S | - | SAS | C18 H14 N4 O5 S | c1ccnc(c1).... |
16 | 2BXA | - | C1F | C12 H16 O5 | CCCc1c(c(c.... |
17 | 4L9K | - | EHF | C20 H18 N2 O5 | CC[C@](C1=.... |
18 | 2BXP | - | P1Z | C19 H20 N2 O2 | CCCCC1C(=O.... |
19 | 2XW0 | - | 9NF | C21 H22 N2 O4 S | CN(C)c1ccc.... |
20 | 1BJ5 | - | MYR | C14 H28 O2 | CCCCCCCCCC.... |
21 | 4IW2 | - | GLC | C6 H12 O6 | C([C@@H]1[.... |
22 | 1E7C | - | MYR | C14 H28 O2 | CCCCCCCCCC.... |
23 | 4LA0 | - | 198 | C18 H14 F4 N2 O4 S | C[C@](CS(=.... |
24 | 1E7F | - | DAO | C12 H24 O2 | CCCCCCCCCC.... |
25 | 6A7P | Ka = 7.51 M^-1 | 9SC | C23 H27 Cl2 N3 O2 | c1cc(c(c(c.... |
26 | 6WUW | - | UAY | C13 H8 N2 O2 S | [H]/N=C1/c.... |
27 | 2BXI | - | MYR | C14 H28 O2 | CCCCCCCCCC.... |
28 | 1E7B | - | HLT | C2 H Br Cl F3 | [C@@H](C(F.... |
29 | 1H9Z | Kd = 3.8 uM | RWF | C19 H16 O4 | CC(=O)C[C@.... |
30 | 1HK4 | Kd = 4.9 uM | T44 | C15 H11 I4 N O4 | c1c(cc(c(c.... |
31 | 2BXM | - | MYR | C14 H28 O2 | CCCCCCCCCC.... |
32 | 1E7E | - | DKA | C10 H20 O2 | CCCCCCCCCC.... |
33 | 1E7H | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
34 | 6XK0 | - | DEX | C22 H29 F O5 | C[C@@H]1C[.... |
35 | 5ID9 | - | 6A4 | C17 H32 O4 P S2 | CCCCCCCCCC.... |
36 | 4J2V | - | DIU | C7 H4 I2 O3 | c1c(cc(c(c.... |
37 | 5DQF | Kd = 253 uM | CZE | C21 H25 Cl N2 O3 | c1ccc(cc1).... |
38 | 4OT2 | - | NPS | C14 H14 O3 | C[C@@H](c1.... |
39 | 5DBY | Ka = 7730000 M^-1 | NPS | C14 H14 O3 | C[C@@H](c1.... |
40 | 4ZBQ | Ka = 39000 M^-1 | DIF | C14 H11 Cl2 N O2 | c1ccc(c(c1.... |
41 | 6OCJ | Ka = 41100 M^-1 | M5A | C14 H12 O3 S | C[C@@H](c1.... |
42 | 4ZBR | Ka = 39000 M^-1 | DIF | C14 H11 Cl2 N O2 | c1ccc(c(c1.... |
43 | 6OCK | Ka = 20400 M^-1 | 9KL | C16 H14 O3 | C[C@@H](c1.... |
44 | 6OCL | Ka = 63000 M^-1 | M5A | C14 H12 O3 S | C[C@@H](c1.... |
45 | 5OKL | - | PAM | C16 H30 O2 | CCCCCCC=C/.... |
46 | 5OTB | - | PRO | C5 H9 N O2 | C1C[C@H](N.... |
47 | 5OSW | - | DIU | C7 H4 I2 O3 | c1c(cc(c(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | M5A | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 109 | 0.9117 |
2 | JL7 | 0.9104 |
3 | BFL | 0.9056 |
4 | 1CE | 0.9012 |
5 | BX4 | 0.9005 |
6 | 5WK | 0.8994 |
7 | GF7 | 0.8985 |
8 | JFS | 0.8984 |
9 | 4YE | 0.8960 |
10 | 5NR | 0.8952 |
11 | D25 | 0.8924 |
12 | 6T5 | 0.8912 |
13 | NY4 | 0.8902 |
14 | EZL | 0.8890 |
15 | FLP | 0.8887 |
16 | PBF | 0.8877 |
17 | RYY | 0.8865 |
18 | RYV | 0.8861 |
19 | TEF | 0.8855 |
20 | J1K | 0.8844 |
21 | 72G | 0.8840 |
22 | 72D | 0.8838 |
23 | LZ4 | 0.8836 |
24 | BP5 | 0.8835 |
25 | 5TT | 0.8835 |
26 | M28 | 0.8831 |
27 | FTK | 0.8827 |
28 | 2OX | 0.8820 |
29 | U55 | 0.8817 |
30 | NPS | 0.8816 |
31 | REG | 0.8815 |
32 | 0QA | 0.8806 |
33 | Q86 | 0.8805 |
34 | H50 | 0.8798 |
35 | A26 | 0.8798 |
36 | ZEA | 0.8787 |
37 | D26 | 0.8787 |
38 | 9KL | 0.8778 |
39 | 6XR | 0.8772 |
40 | A64 | 0.8771 |
41 | JMM | 0.8764 |
42 | JCQ | 0.8758 |
43 | RKY | 0.8757 |
44 | 6P3 | 0.8743 |
45 | 3VR | 0.8741 |
46 | F91 | 0.8740 |
47 | BMZ | 0.8738 |
48 | FY8 | 0.8736 |
49 | A63 | 0.8734 |
50 | LC1 | 0.8734 |
51 | N5B | 0.8726 |
52 | CR4 | 0.8721 |
53 | CIU | 0.8719 |
54 | S62 | 0.8714 |
55 | K7H | 0.8713 |
56 | 3K1 | 0.8712 |
57 | HPK | 0.8711 |
58 | A5Q | 0.8709 |
59 | AJ1 | 0.8708 |
60 | PIC | 0.8701 |
61 | CT0 | 0.8699 |
62 | FBC | 0.8696 |
63 | 72E | 0.8691 |
64 | M4N | 0.8687 |
65 | SNJ | 0.8683 |
66 | 801 | 0.8677 |
67 | 29F | 0.8677 |
68 | 2P3 | 0.8673 |
69 | 135 | 0.8666 |
70 | RYJ | 0.8664 |
71 | 124 | 0.8662 |
72 | SYD | 0.8660 |
73 | 120 | 0.8654 |
74 | NNF | 0.8649 |
75 | LOT | 0.8632 |
76 | 6WU | 0.8631 |
77 | TID | 0.8630 |
78 | 7GY | 0.8626 |
79 | OLU | 0.8619 |
80 | 1OT | 0.8615 |
81 | 06R | 0.8614 |
82 | A4Z | 0.8609 |
83 | 0MB | 0.8609 |
84 | 7N8 | 0.8601 |
85 | ERJ | 0.8601 |
86 | 41L | 0.8599 |
87 | LZ7 | 0.8599 |
88 | GBJ | 0.8595 |
89 | MKN | 0.8590 |
90 | HMO | 0.8590 |
91 | VGV | 0.8589 |
92 | SDN | 0.8586 |
93 | IPJ | 0.8584 |
94 | 6DH | 0.8582 |
95 | IGP | 0.8575 |
96 | AQN | 0.8569 |
97 | 802 | 0.8567 |
98 | BIH | 0.8563 |
99 | RGK | 0.8550 |
100 | 8V8 | 0.8541 |
101 | 0OK | 0.8538 |
102 | 4ZF | 0.8536 |
103 | JON | 0.8530 |
104 | 0UL | 0.8529 |
105 | 22M | 0.8524 |
106 | 5ER | 0.8523 |
107 | VFJ | 0.8519 |
108 | E92 | 0.8517 |
This union binding pocket(no: 1) in the query (biounit: 6ocl.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |