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- 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 2 families. | |||||
1 | 1LJT | ic50 = 7 uM | HDI | C12 H13 N O4 | COC(=O)C[C.... |
2 | 3L5R | ic50 = 38 nM | 47X | C15 H10 O5 | c1cc(c(cc1.... |
3 | 5J7Q | Ki = 26.6 uM | 6H2 | C13 H10 N2 O2 | c1ccn2cc(n.... |
4 | 5HVT | Kd = 0.055 uM | NVS | C15 H13 N O4 | COc1ccc(cc.... |
5 | 5B4O | - | 6DQ | C13 H8 N2 O S | c1ccc2c(c1.... |
6 | 1GCZ | Ki = 7.4 uM | YZ9 | C12 H10 O5 | CCOC(=O)C1.... |
7 | 3L5P | - | 428 | C9 H11 N3 O | CC(C)c1cn2.... |
8 | 5HVS | Kd = 0.071 uM | 65V | C24 H15 F N4 O4 | c1cc(cc(c1.... |
9 | 6B1C | Kd = 0.111 uM | C9J | C17 H12 F N5 O2 | CN1C=Cc2cc.... |
10 | 3L5T | - | 956 | C20 H18 N4 O2 S | CN1c2ccccc.... |
11 | 3IJJ | - | EN1 | C9 H8 O4 | c1cc(ccc1/.... |
12 | 6CBG | Ki = 113 uM | EWG | C10 H8 N2 O2 | c1cc(cc(c1.... |
13 | 4K9G | - | 1Q1 | C12 H12 F N O3 | CC(=O)C[C@.... |
14 | 3IJG | Kd = 54 uM | AVR | C13 H17 N3 O | C[C@H](C(=.... |
15 | 4WRB | Ki = 0.65 uM | 3TW | C20 H18 N4 O3 | COCCOc1ccc.... |
16 | 1CA7 | - | ENO | C9 H8 O4 | c1cc(ccc1C.... |
17 | 2OOH | ic50 = 1.3 uM | OX3 | C14 H17 N O3 | c1cc(ccc1C.... |
18 | 2OOZ | ic50 = 7 uM | OX5 | C13 H17 N O3 | CC(C)(C)CC.... |
19 | 3DJI | - | 3E1 | C16 H16 N2 O4 | CC(=O)Nc1c.... |
20 | 6CBF | Ki = 6.8 uM | EWD | C16 H12 N2 O3 | c1ccc(cc1).... |
21 | 3L5U | - | ZEC | C7 H6 N2 O3 S2 | c1cc2c(cc1.... |
22 | 6CB5 | Ki = 4.3 uM | EV7 | C20 H14 N2 O3 | c1ccc2cc(c.... |
23 | 6B1K | Kd = 0.213 uM | C9G | C17 H13 N5 O2 | CN1C=Cc2cc.... |
24 | 3L5S | - | 88X | C15 H13 N3 O2 | CCC1=CC(=O.... |
25 | 6CBH | Ki = 0.51 uM | EWJ | C20 H13 F N2 O3 | c1ccc2cc(c.... |
26 | 3U18 | ic50 = 0.81 uM | Y0X | C34 H28 N6 O16 S4 | COc1c(ccc(.... |
27 | 6B2C | Kd = 0.094 uM | C9Y | C18 H12 F N5 O4 | c1cc(c(cc1.... |
28 | 1MFI | Ki = 2.6 uM | FHC | C9 H6 F O3 | c1cc(ccc1C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1LJT | ic50 = 7 uM | HDI | C12 H13 N O4 | COC(=O)C[C.... |
2 | 3L5R | ic50 = 38 nM | 47X | C15 H10 O5 | c1cc(c(cc1.... |
3 | 5J7Q | Ki = 26.6 uM | 6H2 | C13 H10 N2 O2 | c1ccn2cc(n.... |
4 | 5HVT | Kd = 0.055 uM | NVS | C15 H13 N O4 | COc1ccc(cc.... |
5 | 5B4O | - | 6DQ | C13 H8 N2 O S | c1ccc2c(c1.... |
6 | 1GCZ | Ki = 7.4 uM | YZ9 | C12 H10 O5 | CCOC(=O)C1.... |
7 | 3L5P | - | 428 | C9 H11 N3 O | CC(C)c1cn2.... |
8 | 5HVS | Kd = 0.071 uM | 65V | C24 H15 F N4 O4 | c1cc(cc(c1.... |
9 | 6B1C | Kd = 0.111 uM | C9J | C17 H12 F N5 O2 | CN1C=Cc2cc.... |
10 | 3L5T | - | 956 | C20 H18 N4 O2 S | CN1c2ccccc.... |
11 | 3IJJ | - | EN1 | C9 H8 O4 | c1cc(ccc1/.... |
12 | 6CBG | Ki = 113 uM | EWG | C10 H8 N2 O2 | c1cc(cc(c1.... |
13 | 4K9G | - | 1Q1 | C12 H12 F N O3 | CC(=O)C[C@.... |
14 | 3IJG | Kd = 54 uM | AVR | C13 H17 N3 O | C[C@H](C(=.... |
15 | 4WRB | Ki = 0.65 uM | 3TW | C20 H18 N4 O3 | COCCOc1ccc.... |
16 | 1CA7 | - | ENO | C9 H8 O4 | c1cc(ccc1C.... |
17 | 2OOH | ic50 = 1.3 uM | OX3 | C14 H17 N O3 | c1cc(ccc1C.... |
18 | 2OOZ | ic50 = 7 uM | OX5 | C13 H17 N O3 | CC(C)(C)CC.... |
19 | 3DJI | - | 3E1 | C16 H16 N2 O4 | CC(=O)Nc1c.... |
20 | 6CBF | Ki = 6.8 uM | EWD | C16 H12 N2 O3 | c1ccc(cc1).... |
21 | 3L5U | - | ZEC | C7 H6 N2 O3 S2 | c1cc2c(cc1.... |
22 | 6CB5 | Ki = 4.3 uM | EV7 | C20 H14 N2 O3 | c1ccc2cc(c.... |
23 | 6B1K | Kd = 0.213 uM | C9G | C17 H13 N5 O2 | CN1C=Cc2cc.... |
24 | 3L5S | - | 88X | C15 H13 N3 O2 | CCC1=CC(=O.... |
25 | 6CBH | Ki = 0.51 uM | EWJ | C20 H13 F N2 O3 | c1ccc2cc(c.... |
26 | 3U18 | ic50 = 0.81 uM | Y0X | C34 H28 N6 O16 S4 | COc1c(ccc(.... |
27 | 6B2C | Kd = 0.094 uM | C9Y | C18 H12 F N5 O4 | c1cc(c(cc1.... |
28 | 4Q3F | - | TLA | C4 H6 O6 | [C@@H]([C@.... |
29 | 6C5F | Ki = 33 uM | 7L9 | C14 H9 N O6 | c1cc(cc(c1.... |
30 | 3RF5 | Ki = 2.37 uM | FUZ | C12 H11 N O3 | c1ccc(c(c1.... |
31 | 3RF4 | Ki = 0.56 uM | FUN | C12 H11 Cl N2 O5 S | c1cc(oc1)C.... |
32 | 1MFI | Ki = 2.6 uM | FHC | C9 H6 F O3 | c1cc(ccc1C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 88X | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | WDW | 0.9252 |
2 | 7PS | 0.9224 |
3 | 97K | 0.9138 |
4 | SQM | 0.9095 |
5 | IDZ | 0.9085 |
6 | T21 | 0.9082 |
7 | AP6 | 0.9080 |
8 | UN9 | 0.9067 |
9 | DE7 | 0.9061 |
10 | D64 | 0.9045 |
11 | FNT | 0.9026 |
12 | DX2 | 0.9022 |
13 | 4AU | 0.9014 |
14 | PNJ | 0.9009 |
15 | PNG | 0.8996 |
16 | PNW | 0.8996 |
17 | LIG | 0.8996 |
18 | MBE | 0.8984 |
19 | TVC | 0.8982 |
20 | 3WL | 0.8976 |
21 | Q92 | 0.8972 |
22 | 7G2 | 0.8960 |
23 | GEN | 0.8948 |
24 | 147 | 0.8945 |
25 | CUQ | 0.8934 |
26 | E6Q | 0.8933 |
27 | FLF | 0.8928 |
28 | TCW | 0.8924 |
29 | JCQ | 0.8922 |
30 | 2QV | 0.8920 |
31 | A45 | 0.8920 |
32 | MQR | 0.8917 |
33 | 2QU | 0.8908 |
34 | 5RU | 0.8896 |
35 | JVB | 0.8895 |
36 | OA4 | 0.8893 |
37 | IXG | 0.8890 |
38 | IXM | 0.8886 |
39 | MHB | 0.8885 |
40 | H32 | 0.8872 |
41 | 8M5 | 0.8867 |
42 | QC1 | 0.8863 |
43 | 4HG | 0.8858 |
44 | NFL | 0.8857 |
45 | 5VU | 0.8856 |
46 | CMG | 0.8838 |
47 | 9CE | 0.8823 |
48 | GAL PHB | 0.8819 |
49 | XEV | 0.8819 |
50 | FXE | 0.8819 |
51 | HN2 | 0.8818 |
52 | QNM | 0.8817 |
53 | BMZ | 0.8802 |
54 | HBI | 0.8796 |
55 | BUX | 0.8796 |
56 | WG8 | 0.8780 |
57 | 1AJ | 0.8778 |
58 | 1EL | 0.8778 |
59 | 47V | 0.8777 |
60 | PIQ | 0.8776 |
61 | Q2S | 0.8770 |
62 | PMM | 0.8770 |
63 | 122 | 0.8767 |
64 | FX5 | 0.8767 |
65 | 9ME | 0.8764 |
66 | RGK | 0.8760 |
67 | 1XS | 0.8760 |
68 | T5J | 0.8757 |
69 | 120 | 0.8757 |
70 | BZC | 0.8754 |
71 | X8E | 0.8747 |
72 | UL1 | 0.8741 |
73 | MT6 | 0.8733 |
74 | JMM | 0.8726 |
75 | TCR | 0.8722 |
76 | 4JV | 0.8718 |
77 | 1R5 | 0.8717 |
78 | C0Y | 0.8714 |
79 | U12 | 0.8710 |
80 | JF5 | 0.8710 |
81 | BIO | 0.8710 |
82 | 6EN | 0.8707 |
83 | YE6 | 0.8704 |
84 | ELH | 0.8701 |
85 | 0MB | 0.8698 |
86 | 7ZO | 0.8695 |
87 | XYS XYS | 0.8693 |
88 | HN3 | 0.8684 |
89 | U4J | 0.8680 |
90 | 19E | 0.8678 |
91 | 08C | 0.8677 |
92 | KU1 | 0.8676 |
93 | M3W | 0.8665 |
94 | 0KC | 0.8661 |
95 | AZC | 0.8659 |
96 | P4T | 0.8653 |
97 | ISX | 0.8652 |
98 | JNW | 0.8647 |
99 | 135 | 0.8646 |
100 | 6DQ | 0.8641 |
101 | H4B | 0.8636 |
102 | 697 | 0.8633 |
103 | GZV | 0.8627 |
104 | B2E | 0.8624 |
105 | HZ8 | 0.8624 |
106 | 6QT | 0.8624 |
107 | 92O | 0.8623 |
108 | 69W | 0.8622 |
109 | 5M2 | 0.8620 |
110 | OAQ | 0.8619 |
111 | GLA BEZ | 0.8619 |
112 | WCU | 0.8619 |
113 | K8Y | 0.8616 |
114 | 124 | 0.8613 |
115 | Y06 | 0.8613 |
116 | N18 | 0.8609 |
117 | 5NN | 0.8609 |
118 | 041 | 0.8604 |
119 | YZ9 | 0.8603 |
120 | 3F4 | 0.8599 |
121 | 25F | 0.8597 |
122 | YEX | 0.8595 |
123 | LI7 | 0.8594 |
124 | HH6 | 0.8593 |
125 | JF8 | 0.8591 |
126 | CLI | 0.8588 |
127 | GAA | 0.8585 |
128 | 9MK | 0.8585 |
129 | 4ZF | 0.8582 |
130 | SZ5 | 0.8581 |
131 | AV4 | 0.8575 |
132 | PZX | 0.8563 |
133 | E9L | 0.8550 |
134 | 5BX | 0.8549 |
135 | H2W | 0.8548 |
136 | 5C1 | 0.8548 |
137 | 581 | 0.8523 |
138 | A0R | 0.8518 |
This union binding pocket(no: 1) in the query (biounit: 3l5r.bio1) has 79 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |