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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 41 families. | |||||
1 | 2HB9 | ic50 = 15 uM | L13 | C9 H10 N4 S | Cc1ccccc1C.... |
2 | 5DPX | - | L3B | C9 H7 N3 S | Cc1ccccc1C.... |
3 | 2GFJ | ic50 = 150 uM | VI | C17 H12 N2 O4 | c1ccc(cc1).... |
4 | 2GFK | ic50 = 30 uM | VII | C18 H12 O5 | c1ccc(cc1).... |
5 | 5EVB | Ki = 10 uM | 3R9 | C7 H11 N O2 S3 | C1[C@@H](N.... |
6 | 2AIO | - | MX1 | C18 H18 N2 O10 | CO[C@]([C@.... |
7 | 2QDT | Ki = 6.5 uM | I38 | C6 H11 N O3 S | C[C@H](C(=.... |
8 | 2FU8 | Ki = 20 uM | MCO | C9 H15 N O3 S | C[C@H](CS).... |
9 | 5EVK | Ki = 12 uM | 3C7 | C7 H11 N O2 S3 | C1[C@H](N2.... |
10 | 5EVD | Ki = 10 uM | VC2 | C9 H15 N O2 S3 | CC1([C@@H].... |
11 | 2FU9 | - | MP2 | C13 H16 N2 O5 S | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 23 families. | |||||
1 | 2HB9 | ic50 = 15 uM | L13 | C9 H10 N4 S | Cc1ccccc1C.... |
2 | 5DPX | - | L3B | C9 H7 N3 S | Cc1ccccc1C.... |
3 | 2GFJ | ic50 = 150 uM | VI | C17 H12 N2 O4 | c1ccc(cc1).... |
4 | 2GFK | ic50 = 30 uM | VII | C18 H12 O5 | c1ccc(cc1).... |
5 | 5EVB | Ki = 10 uM | 3R9 | C7 H11 N O2 S3 | C1[C@@H](N.... |
6 | 2AIO | - | MX1 | C18 H18 N2 O10 | CO[C@]([C@.... |
7 | 2QDT | Ki = 6.5 uM | I38 | C6 H11 N O3 S | C[C@H](C(=.... |
8 | 2FU8 | Ki = 20 uM | MCO | C9 H15 N O3 S | C[C@H](CS).... |
9 | 5EVK | Ki = 12 uM | 3C7 | C7 H11 N O2 S3 | C1[C@H](N2.... |
10 | 5EVD | Ki = 10 uM | VC2 | C9 H15 N O2 S3 | CC1([C@@H].... |
11 | 2FU9 | - | MP2 | C13 H16 N2 O5 S | c1ccc(cc1).... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 8VN | 0.9380 |
2 | 8WQ | 0.9233 |
3 | FRU | 0.9170 |
4 | 1N4 | 0.9068 |
5 | PSV | 0.9066 |
6 | GLY PRO | 0.9058 |
7 | 2TQ | 0.9058 |
8 | TLA | 0.9017 |
9 | GAL | 0.9014 |
10 | FA1 | 0.9006 |
11 | 8VE | 0.8988 |
12 | QIC | 0.8970 |
13 | SF6 | 0.8965 |
14 | GLA | 0.8960 |
15 | MIG | 0.8959 |
16 | 2H5 | 0.8947 |
17 | 2M5 | 0.8935 |
18 | DQA | 0.8934 |
19 | FA3 | 0.8920 |
20 | NVU | 0.8913 |
21 | 9KH | 0.8909 |
22 | H6B | 0.8904 |
23 | FHN | 0.8903 |
24 | 9PY | 0.8896 |
25 | GLC | 0.8895 |
26 | MAN | 0.8894 |
27 | BMA | 0.8893 |
28 | 6XI | 0.8883 |
29 | X6X | 0.8876 |
30 | ALA PRO | 0.8873 |
31 | VNL | 0.8869 |
32 | PRZ | 0.8868 |
33 | GCU | 0.8866 |
34 | BDP | 0.8866 |
35 | BGC | 0.8866 |
36 | GLG | 0.8851 |
37 | ICT | 0.8831 |
38 | MVL | 0.8825 |
39 | YIO | 0.8807 |
40 | FX1 | 0.8806 |
41 | MMA | 0.8798 |
42 | FLC | 0.8772 |
43 | AMG | 0.8769 |
44 | 95Z | 0.8766 |
45 | KBG | 0.8765 |
46 | PSJ | 0.8763 |
47 | 23J | 0.8763 |
48 | 8S0 | 0.8762 |
49 | IPM | 0.8761 |
50 | 149 | 0.8760 |
51 | EOL | 0.8759 |
52 | EVA | 0.8757 |
53 | X09 | 0.8751 |
54 | I38 | 0.8751 |
55 | GOX | 0.8750 |
56 | CIT | 0.8746 |
57 | G3F | 0.8743 |
58 | GCB | 0.8743 |
59 | MFU | 0.8741 |
60 | TVP | 0.8741 |
61 | GIV | 0.8739 |
62 | GCS | 0.8733 |
63 | SHG | 0.8732 |
64 | CS2 | 0.8718 |
65 | 7A3 | 0.8717 |
66 | DOR | 0.8704 |
67 | NCD | 0.8702 |
68 | 2CL | 0.8702 |
69 | GTL | 0.8701 |
70 | REL | 0.8698 |
71 | OHP | 0.8694 |
72 | BK9 | 0.8693 |
73 | 7A2 | 0.8692 |
74 | LGC | 0.8690 |
75 | 4VY | 0.8689 |
76 | GXL | 0.8677 |
77 | GYP | 0.8670 |
78 | 1P3 | 0.8667 |
79 | R9S | 0.8667 |
80 | 6CS | 0.8661 |
81 | AIN | 0.8659 |
82 | DIG | 0.8658 |
83 | RNS | 0.8653 |
84 | AOS | 0.8652 |
85 | NCT | 0.8651 |
86 | SWA | 0.8649 |
87 | N7P | 0.8647 |
88 | 57O | 0.8640 |
89 | TFU | 0.8635 |
90 | 4CS | 0.8628 |
91 | XX2 | 0.8614 |
92 | HHT | 0.8613 |
93 | DMJ | 0.8610 |
94 | ASC | 0.8609 |
95 | TRC | 0.8606 |
96 | SOL | 0.8599 |
97 | OMD | 0.8597 |
98 | KTA | 0.8588 |
99 | GBN | 0.8582 |
100 | GLF | 0.8580 |
101 | NFQ | 0.8578 |
102 | GRO | 0.8577 |
103 | ZWZ | 0.8576 |
104 | CDV | 0.8572 |
105 | 0LH | 0.8572 |
106 | 2AL | 0.8564 |
107 | WOO | 0.8561 |
108 | ZZ2 | 0.8555 |
109 | 4RW | 0.8553 |
110 | FUD | 0.8550 |
111 | SRT | 0.8549 |
112 | BDF | 0.8543 |
113 | H62 | 0.8534 |
114 | 293 | 0.8521 |
This union binding pocket(no: 1) in the query (biounit: 2qdt.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2qdt.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2qdt.bio2) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 2qdt.bio2) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |