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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 7 families. | |||||
1 | 5W2P | - | 6U5 | C12 H17 N3 O2 S | CCCCS(=O)(.... |
2 | 4C71 | Ki = 384 uM | 7RD | C14 H19 N3 O2 S | C/C(=C[C@@.... |
3 | 4C6W | - | M7U | C38 H75 O8 P | CCCCCCCCCC.... |
4 | 6P9K | - | O6G | C14 H17 N3 O2 S | CCCCS(=O)(.... |
5 | 5LD8 | Kd = 9 nM | 6U5 | C12 H17 N3 O2 S | CCCCS(=O)(.... |
6 | 4C72 | Ki = 8.2 uM | TLG | C12 H14 O3 S | C/C(=C/[C@.... |
7 | 5W2S | - | KMG | C12 H17 N3 O2 S | CCCCS(=O)(.... |
8 | 4C6U | Kd = 25.6 uM | TLG | C12 H14 O3 S | C/C(=C/[C@.... |
9 | 4C6X | Ki = 175.4 uM | TLM | C11 H14 O2 S | CC1=C([C@@.... |
10 | 6P9M | - | O6J | C15 H19 N3 O2 S | CCCCCS(=O).... |
11 | 4C70 | Ki = 305 uM | TLJ | C13 H18 O2 S | CCCC1=C([C.... |
12 | 2WGG | - | TLM | C11 H14 O2 S | CC1=C([C@@.... |
13 | 2WGE | - | TLM | C11 H14 O2 S | CC1=C([C@@.... |
14 | 5W2O | - | TCE | C9 H15 O6 P | C(CP(CCC(=.... |
15 | 5W2Q | - | 6U5 | C12 H17 N3 O2 S | CCCCS(=O)(.... |
16 | 6P9L | - | JFX | C12 H16 F N3 O2 S | Cc1c2cc(cc.... |
17 | 4C73 | Ki = 12.1 uM | TLH | C12 H11 F3 O3 S | C/C(=C[C@@.... |
18 | 4C6Z | Ki = 357 uM | TLE | C12 H16 O2 S | CCC1=C([C@.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 5W2P | - | 6U5 | C12 H17 N3 O2 S | CCCCS(=O)(.... |
2 | 4C71 | Ki = 384 uM | 7RD | C14 H19 N3 O2 S | C/C(=C[C@@.... |
3 | 4C6W | - | M7U | C38 H75 O8 P | CCCCCCCCCC.... |
4 | 6P9K | - | O6G | C14 H17 N3 O2 S | CCCCS(=O)(.... |
5 | 5LD8 | Kd = 9 nM | 6U5 | C12 H17 N3 O2 S | CCCCS(=O)(.... |
6 | 4C72 | Ki = 8.2 uM | TLG | C12 H14 O3 S | C/C(=C/[C@.... |
7 | 5W2S | - | KMG | C12 H17 N3 O2 S | CCCCS(=O)(.... |
8 | 4C6U | Kd = 25.6 uM | TLG | C12 H14 O3 S | C/C(=C/[C@.... |
9 | 4C6X | Ki = 175.4 uM | TLM | C11 H14 O2 S | CC1=C([C@@.... |
10 | 6P9M | - | O6J | C15 H19 N3 O2 S | CCCCCS(=O).... |
11 | 4C70 | Ki = 305 uM | TLJ | C13 H18 O2 S | CCCC1=C([C.... |
12 | 2WGG | - | TLM | C11 H14 O2 S | CC1=C([C@@.... |
13 | 2WGE | - | TLM | C11 H14 O2 S | CC1=C([C@@.... |
14 | 5W2O | - | TCE | C9 H15 O6 P | C(CP(CCC(=.... |
15 | 5W2Q | - | 6U5 | C12 H17 N3 O2 S | CCCCS(=O)(.... |
16 | 6P9L | - | JFX | C12 H16 F N3 O2 S | Cc1c2cc(cc.... |
17 | 4C73 | Ki = 12.1 uM | TLH | C12 H11 F3 O3 S | C/C(=C[C@@.... |
18 | 4C6Z | Ki = 357 uM | TLE | C12 H16 O2 S | CCC1=C([C@.... |
19 | 3G11 | - | P9C | C30 H33 N O7 | C[C@]12C[C.... |
20 | 3I8P | ic50 = 19 nM | 840 | C24 H25 N O8 | C[C@@]1([C.... |
21 | 3HO2 | ic50 = 113 nM | N32 | C24 H27 N O6 | C[C@@]1([C.... |
22 | 3HO9 | ic50 = 789 nM | N3A | C24 H27 N O7 | C[C@@]1([C.... |
23 | 4LS7 | - | 1X9 | C12 H17 N O3 | C/C=C/C/C=.... |
24 | 1FJ4 | Kd = 26 uM | TLM | C11 H14 O2 S | CC1=C([C@@.... |
25 | 2AQ7 | ic50 = 500 uM | TL5 | C12 H16 O2 S | CC=CC(=C[C.... |
26 | 2VB8 | - | TLM | C11 H14 O2 S | CC1=C([C@@.... |
27 | 2AQB | ic50 = 500 uM | TL6 | C10 H12 O2 S | CC1=C([C@@.... |
28 | 2VBA | Kd = 25 uM | P4T | C12 H12 N2 O S | Cc1c(sc(n1.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | Z3P | 0.9168 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | JFX | 0.9697 |
2 | O6G | 0.9281 |
3 | C1Y | 0.8994 |
4 | 9RK | 0.8959 |
5 | TRP GLY | 0.8955 |
6 | GLY NIY | 0.8934 |
7 | IAG | 0.8922 |
8 | PW8 | 0.8906 |
9 | O6J | 0.8892 |
10 | RNP | 0.8886 |
11 | 1Q1 | 0.8881 |
12 | 0XR | 0.8878 |
13 | XJ2 | 0.8863 |
14 | NIP | 0.8858 |
15 | 3AD | 0.8825 |
16 | QUB | 0.8823 |
17 | DG | 0.8821 |
18 | MTH | 0.8817 |
19 | AD3 | 0.8807 |
20 | D80 | 0.8805 |
21 | XG1 | 0.8805 |
22 | ADN | 0.8793 |
23 | VAO | 0.8790 |
24 | R4E | 0.8789 |
25 | 4F0 | 0.8787 |
26 | 00G | 0.8786 |
27 | BXS | 0.8781 |
28 | ZEA | 0.8773 |
29 | JYN | 0.8772 |
30 | MTA | 0.8768 |
31 | F91 | 0.8754 |
32 | 2DT | 0.8752 |
33 | BGK | 0.8745 |
34 | KWD | 0.8740 |
35 | UFP | 0.8737 |
36 | C09 | 0.8737 |
37 | 5F1 | 0.8730 |
38 | NOS | 0.8730 |
39 | MDR | 0.8725 |
40 | 1Q2 | 0.8723 |
41 | SNP | 0.8723 |
42 | DIH | 0.8721 |
43 | ETV | 0.8720 |
44 | ASE | 0.8720 |
45 | XTS | 0.8715 |
46 | ZAS | 0.8713 |
47 | 4UO | 0.8706 |
48 | AI7 | 0.8703 |
49 | 2FA | 0.8702 |
50 | 3D1 | 0.8695 |
51 | 0RY | 0.8695 |
52 | H7S | 0.8694 |
53 | RKY | 0.8691 |
54 | IM5 | 0.8689 |
55 | NYM | 0.8687 |
56 | FMC | 0.8686 |
57 | FDM | 0.8686 |
58 | TMP | 0.8686 |
59 | HWH | 0.8679 |
60 | 5R9 | 0.8676 |
61 | TBN | 0.8673 |
62 | JXB | 0.8672 |
63 | GNG | 0.8667 |
64 | 4KN | 0.8664 |
65 | F41 | 0.8662 |
66 | A4D | 0.8655 |
67 | F5N | 0.8649 |
68 | GMP | 0.8649 |
69 | FIP | 0.8648 |
70 | D5M | 0.8647 |
71 | RFZ | 0.8646 |
72 | BFS | 0.8645 |
73 | 3L1 | 0.8644 |
74 | 101 | 0.8641 |
75 | DBM | 0.8641 |
76 | 41L | 0.8631 |
77 | QID | 0.8627 |
78 | VCE | 0.8625 |
79 | SY4 | 0.8617 |
80 | HRS | 0.8613 |
81 | 5FD | 0.8606 |
82 | 4A8 | 0.8605 |
83 | TVC | 0.8597 |
84 | 5N5 | 0.8594 |
85 | 5AD | 0.8590 |
86 | 88S | 0.8586 |
87 | GA2 | 0.8581 |
88 | B41 | 0.8558 |
89 | FSU | 0.8541 |
This union binding pocket(no: 1) in the query (biounit: 5ld8.bio1) has 92 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5ld8.bio1) has 97 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |