- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- 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 | 2E4U | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
2 | 2E4W | - | C5A | C7 H11 N O4 | C1C[C@](C[.... |
3 | 2E4V | - | 2CG | C7 H9 N O6 | C1([C@H]([.... |
4 | 4XAS | Ki = 260 nM | 40H | C10 H13 N O4 | C1CC12C[C@.... |
5 | 4XAQ | Ki = 71.7 nM | 40F | C8 H11 N O4 | C1C[C@]([C.... |
6 | 4XAR | Ki = 107 nM | 40F | C8 H11 N O4 | C1C[C@]([C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 181 families. | |||||
1 | 2E4U | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
2 | 2E4W | - | C5A | C7 H11 N O4 | C1C[C@](C[.... |
3 | 2E4V | - | 2CG | C7 H9 N O6 | C1([C@H]([.... |
4 | 4XAS | Ki = 260 nM | 40H | C10 H13 N O4 | C1CC12C[C@.... |
5 | 4XAQ | Ki = 71.7 nM | 40F | C8 H11 N O4 | C1C[C@]([C.... |
6 | 4XAR | Ki = 107 nM | 40F | C8 H11 N O4 | C1C[C@]([C.... |
7 | 1EWK | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 40F | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ICT | 0.9533 |
2 | C5A | 0.9372 |
3 | 2CG | 0.9277 |
4 | 40H | 0.9272 |
5 | XX3 | 0.9198 |
6 | FLC | 0.9140 |
7 | NHG | 0.9127 |
8 | CIT | 0.9109 |
9 | GLR | 0.9093 |
10 | 41K | 0.9067 |
11 | DXG | 0.9020 |
12 | M74 | 0.8976 |
13 | XYH | 0.8958 |
14 | DER | 0.8949 |
15 | A3M | 0.8949 |
16 | NCD | 0.8945 |
17 | LFC | 0.8941 |
18 | BCU | 0.8932 |
19 | TPO | 0.8921 |
20 | 152 | 0.8910 |
21 | PSJ | 0.8908 |
22 | 7A3 | 0.8906 |
23 | RES | 0.8896 |
24 | GLN | 0.8893 |
25 | R1P | 0.8890 |
26 | KDG | 0.8884 |
27 | SOL | 0.8882 |
28 | DEW | 0.8881 |
29 | MIC | 0.8880 |
30 | K2Q | 0.8863 |
31 | JF4 | 0.8862 |
32 | RNS | 0.8860 |
33 | GCO | 0.8858 |
34 | PHE | 0.8848 |
35 | OGA | 0.8847 |
36 | M5E | 0.8843 |
37 | FRU | 0.8834 |
38 | PPY | 0.8834 |
39 | NLG | 0.8829 |
40 | AKG | 0.8825 |
41 | SKJ | 0.8820 |
42 | 9ON | 0.8818 |
43 | GLO | 0.8815 |
44 | GLU | 0.8814 |
45 | PDC | 0.8807 |
46 | F31 | 0.8800 |
47 | 2IT | 0.8799 |
48 | FX1 | 0.8793 |
49 | 3MF | 0.8789 |
50 | 5XB | 0.8789 |
51 | 2AL | 0.8789 |
52 | XUL | 0.8786 |
53 | RNT | 0.8785 |
54 | JF1 | 0.8783 |
55 | ONL | 0.8779 |
56 | FIX | 0.8776 |
57 | NAG | 0.8771 |
58 | HYA | 0.8762 |
59 | A5P | 0.8759 |
60 | 7UC | 0.8754 |
61 | QUS | 0.8750 |
62 | ICO | 0.8746 |
63 | HL4 | 0.8746 |
64 | 0JD | 0.8745 |
65 | HIS | 0.8744 |
66 | ICB | 0.8744 |
67 | HCI | 0.8741 |
68 | APG | 0.8738 |
69 | M72 | 0.8736 |
70 | TAG | 0.8722 |
71 | FOC | 0.8721 |
72 | 2C2 | 0.8719 |
73 | DGN | 0.8713 |
74 | 3BU | 0.8707 |
75 | NZ2 | 0.8706 |
76 | 61M | 0.8705 |
77 | OTD | 0.8701 |
78 | DAL DAL | 0.8699 |
79 | SOR | 0.8694 |
80 | 8SZ | 0.8686 |
81 | IPM | 0.8685 |
82 | 2BX | 0.8683 |
83 | SDD | 0.8681 |
84 | 4HP | 0.8678 |
85 | J0Z | 0.8676 |
86 | E4P | 0.8675 |
87 | FK8 | 0.8673 |
88 | CS2 | 0.8670 |
89 | 0OC | 0.8668 |
90 | HFA | 0.8663 |
91 | BZQ | 0.8656 |
92 | TLA | 0.8656 |
93 | GVM | 0.8653 |
94 | TL6 | 0.8649 |
95 | PQK | 0.8649 |
96 | LPK | 0.8648 |
97 | J01 | 0.8648 |
98 | MES | 0.8645 |
99 | LYS | 0.8642 |
100 | RLG | 0.8639 |
101 | APS | 0.8639 |
102 | 3PG | 0.8623 |
103 | 15N | 0.8617 |
104 | S2T | 0.8609 |
105 | SMN | 0.8608 |
106 | 4TB | 0.8607 |
107 | SEP | 0.8597 |
108 | XLS | 0.8597 |
109 | 7Y3 | 0.8593 |
110 | DHK | 0.8584 |
111 | TLM | 0.8582 |
112 | 27L | 0.8579 |
113 | J9T | 0.8566 |
114 | CSN | 0.8556 |
115 | DHY | 0.8554 |
116 | MQB | 0.8547 |
117 | 069 | 0.8543 |
118 | XYL | 0.8541 |
119 | BMA | 0.8540 |
120 | TIH | 0.8537 |
121 | 2PG | 0.8532 |
122 | ORN | 0.8520 |
123 | R5P | 0.8519 |
124 | GAL | 0.8515 |
This union binding pocket(no: 1) in the query (biounit: 4xar.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4xar.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |