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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 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 | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | X8Z | 1 | 1 |
2 | MCO | 1 | 1 |
3 | EER | 0.777778 | 0.893617 |
4 | EEO | 0.744681 | 0.913043 |
5 | EEL | 0.652174 | 0.893617 |
6 | N7P | 0.488889 | 0.847826 |
7 | N8P | 0.488889 | 0.847826 |
8 | EF9 | 0.428571 | 0.8 |
9 | ZAH | 0.428571 | 0.777778 |
10 | GHE | 0.423077 | 0.8 |
11 | EF0 | 0.423077 | 0.833333 |
12 | SLC | 0.407407 | 0.803922 |
13 | ALA PRO | 0.403846 | 0.74 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GLY PRO | 0.9163 |
2 | PSJ | 0.9084 |
3 | DAL DAL | 0.9065 |
4 | HA7 | 0.9049 |
5 | AOS | 0.9048 |
6 | HDL | 0.9021 |
7 | XQI | 0.8991 |
8 | FA3 | 0.8966 |
9 | TAG | 0.8965 |
10 | IPM | 0.8955 |
11 | 4WK | 0.8948 |
12 | FOC | 0.8946 |
13 | GTC | 0.8934 |
14 | FIX | 0.8912 |
15 | C4L | 0.8897 |
16 | ASC | 0.8892 |
17 | K3Q | 0.8883 |
18 | FA1 | 0.8853 |
19 | RAT | 0.8851 |
20 | ICT | 0.8850 |
21 | SDD | 0.8835 |
22 | SKM | 0.8821 |
23 | 791 | 0.8821 |
24 | E35 | 0.8819 |
25 | XXG | 0.8819 |
26 | ADA | 0.8818 |
27 | CKU | 0.8813 |
28 | NCD | 0.8804 |
29 | AX3 | 0.8802 |
30 | QAS | 0.8802 |
31 | REL | 0.8801 |
32 | 23J | 0.8801 |
33 | 2AL | 0.8800 |
34 | 293 | 0.8797 |
35 | 8WT | 0.8796 |
36 | GCO | 0.8791 |
37 | C9E | 0.8788 |
38 | GZ8 | 0.8784 |
39 | 5RO | 0.8784 |
40 | VXX | 0.8783 |
41 | LNR | 0.8781 |
42 | 6DP | 0.8779 |
43 | 9KH | 0.8779 |
44 | CS2 | 0.8777 |
45 | DOR | 0.8772 |
46 | 4ME | 0.8768 |
47 | BDP | 0.8764 |
48 | OA3 | 0.8758 |
49 | PRZ | 0.8757 |
50 | GZL | 0.8755 |
51 | 8TX | 0.8755 |
52 | JTH | 0.8744 |
53 | AVI | 0.8744 |
54 | 549 | 0.8739 |
55 | 3CR | 0.8738 |
56 | ORO | 0.8738 |
57 | I38 | 0.8735 |
58 | 55D | 0.8732 |
59 | SOR | 0.8728 |
60 | DEE | 0.8728 |
61 | GCU | 0.8726 |
62 | KJM | 0.8724 |
63 | AIN | 0.8722 |
64 | 5ZZ | 0.8718 |
65 | E0O | 0.8717 |
66 | EVA | 0.8716 |
67 | R9S | 0.8715 |
68 | TRC | 0.8715 |
69 | DHK | 0.8715 |
70 | EGR | 0.8709 |
71 | 3BU | 0.8707 |
72 | 1AL | 0.8705 |
73 | VOH | 0.8705 |
74 | ZZZ | 0.8703 |
75 | EDR | 0.8702 |
76 | 2CZ | 0.8702 |
77 | L99 | 0.8701 |
78 | AH8 | 0.8698 |
79 | UFO | 0.8696 |
80 | PZI | 0.8695 |
81 | EV0 | 0.8695 |
82 | BGC | 0.8694 |
83 | FUD | 0.8694 |
84 | 49N | 0.8694 |
85 | EPR | 0.8693 |
86 | NFQ | 0.8692 |
87 | JND | 0.8692 |
88 | SAF | 0.8690 |
89 | R9Y | 0.8688 |
90 | O2A | 0.8681 |
91 | CIT | 0.8679 |
92 | DQA | 0.8678 |
93 | 8NX | 0.8678 |
94 | HL4 | 0.8675 |
95 | NLQ | 0.8671 |
96 | AEH | 0.8670 |
97 | 2D8 | 0.8667 |
98 | PFL | 0.8666 |
99 | 6J9 | 0.8666 |
100 | 069 | 0.8662 |
101 | F69 | 0.8660 |
102 | B4O | 0.8659 |
103 | GM7 | 0.8658 |
104 | MIC | 0.8655 |
105 | HPT | 0.8654 |
106 | 57O | 0.8654 |
107 | 3MG | 0.8654 |
108 | GLO | 0.8653 |
109 | GDL | 0.8653 |
110 | 61M | 0.8652 |
111 | OMD | 0.8649 |
112 | KTA | 0.8646 |
113 | ZXD | 0.8645 |
114 | 4TU | 0.8644 |
115 | FBU | 0.8641 |
116 | 256 | 0.8634 |
117 | FLC | 0.8633 |
118 | AVJ | 0.8631 |
119 | GJS | 0.8628 |
120 | NDG | 0.8626 |
121 | M02 | 0.8625 |
122 | PDC | 0.8623 |
123 | NAG | 0.8620 |
124 | H7Y | 0.8619 |
125 | QUS | 0.8618 |
126 | MJ2 | 0.8618 |
127 | FBW | 0.8617 |
128 | GCB | 0.8614 |
129 | 39U | 0.8610 |
130 | YQA | 0.8610 |
131 | M1Z | 0.8609 |
132 | QAT | 0.8607 |
133 | 2C0 | 0.8603 |
134 | 3R6 | 0.8602 |
135 | SHG | 0.8600 |
136 | RNT | 0.8597 |
137 | GHM | 0.8594 |
138 | LGC | 0.8594 |
139 | F12 | 0.8590 |
140 | CCB | 0.8589 |
141 | KG1 | 0.8588 |
142 | SYM | 0.8586 |
143 | NSG | 0.8579 |
144 | KDO | 0.8576 |
145 | AS3 | 0.8574 |
146 | APS | 0.8572 |
147 | SOL | 0.8571 |
148 | HHH | 0.8571 |
149 | N7I | 0.8568 |
150 | 2B4 | 0.8565 |
151 | 67X | 0.8560 |
152 | EMZ | 0.8557 |
153 | 4P0 | 0.8555 |
154 | A7K | 0.8552 |
155 | SF9 | 0.8547 |
156 | KBR | 0.8543 |
157 | 8W9 | 0.8538 |
158 | 3IT | 0.8537 |
159 | XCZ | 0.8535 |
160 | 6R8 | 0.8534 |
161 | F31 | 0.8533 |
162 | IBM | 0.8517 |
163 | MRW | 0.8516 |
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 |