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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 14 families. | |||||
1 | 4L10 | - | A63 | C16 H12 O3 | COc1ccc(cc.... |
2 | 5NSP | ic50 = 0.34 uM | 97E | C26 H15 Cl N8 O | c1ccc(c(c1.... |
3 | 5NWC | ic50 = 700 nM | 9CE | C14 H11 N3 O | c1ccc(c(c1.... |
4 | 4L33 | - | F70 | C18 H11 N O4 | c1ccc2c(c1.... |
5 | 4UI4 | ic50 = 45 nM | RJN | C23 H19 N3 O3 | c1ccc(cc1).... |
6 | 5NWB | ic50 = 16 nM | 9C5 | C17 H17 N3 O2 | CN(CCO)c1c.... |
7 | 5NVC | ic50 = 650 nM | 9AN | C14 H10 N2 O2 | c1ccc2c(c1.... |
8 | 4KZQ | - | DFL | C15 H12 O3 | c1ccc2c(c1.... |
9 | 4L2K | - | 1V8 | C16 H10 O4 | c1ccc2c(c1.... |
10 | 5NT0 | ic50 = 280 nM | 97H | C14 H11 N3 O | c1ccc2c(c1.... |
11 | 4UI6 | ic50 = 87 nM | ECZ | C16 H11 F3 N2 O2 | COc1cccc2c.... |
12 | 4UI8 | ic50 = 25 nM | IY5 | C15 H9 F3 N2 O2 | c1cc2c(c(c.... |
13 | 4L0V | - | 1V1 | C15 H9 Cl O2 | c1ccc2c(c1.... |
14 | 4L31 | - | F08 | C17 H12 O4 | COC(=O)c1c.... |
15 | 5NVH | ic50 = 15 nM | 9B2 | C19 H19 N3 O | c1ccc2c(c1.... |
16 | 4L2F | - | 1V3 | C15 H9 Cl O2 | c1ccc(cc1).... |
17 | 4UI3 | ic50 = 133 nM | 06R | C15 H9 F3 N2 O | c1ccc2c(c1.... |
18 | 4KZU | - | A73 | C15 H9 Br O2 | c1ccc2c(c1.... |
19 | 4UVP | - | NGJ | C11 H12 N2 O | CCC1=Cc2c(.... |
20 | 5ADS | ic50 = 2.15 uM | QNS | C25 H25 Cl N2 O5 | COc1ccc(cc.... |
21 | 5NVF | ic50 = 16 nM | 9AW | C19 H13 N3 O | c1ccc2c(c1.... |
22 | 5ADR | ic50 = 2.3 uM | QS5 | C26 H28 N2 O5 | Cc1ccc(o1).... |
23 | 5NWG | ic50 = 660 nM | 9CB | C17 H16 Cl N3 O2 | CN(CCO)c1c.... |
24 | 4L09 | - | 1UR | C16 H10 O4 | c1ccc2c(c1.... |
25 | 4L34 | - | 1VG | C16 H10 N4 O2 | c1ccc2c(c1.... |
26 | 4L0S | - | 1UZ | C16 H9 N O2 | c1ccc2c(c1.... |
27 | 5NSX | ic50 = 400 nM | 97K | C15 H10 N4 O | c1ccc2c(c1.... |
28 | 4UI5 | ic50 = 167 nM | BJ4 | C16 H14 N2 O2 | Cc1ccc(cc1.... |
29 | 5ADQ | ic50 = 2.01 uM | A95 | C25 H26 N2 O5 | COc1ccc(cc.... |
30 | 5NT4 | ic50 = 17 nM | 97Z | C18 H17 N3 O2 | c1ccc2c(c1.... |
31 | 4UI7 | ic50 = 44 nM | VT3 | C15 H12 N2 O2 | Cc1ccc(cc1.... |
32 | 5NWD | ic50 = 10 nM | 9C8 | C18 H19 N3 O | CCN(CC)c1c.... |
33 | 4L0T | ic50 = 140 nM | 1V0 | C15 H9 N O4 | c1ccc2c(c1.... |
34 | 5ADT | ic50 = 2.23 uM | 1TC | C25 H26 Cl N3 O5 | Cc1ncc(o1).... |
35 | 5NXE | - | 9D5 | C17 H19 N3 O2 | CN(CCO)c1c.... |
36 | 4L0I | - | 1UW | C18 H14 O4 | CCOC(=O)c1.... |
37 | 4L0B | - | 1UT | C17 H15 N O2 | CN(C)c1ccc.... |
38 | 4L32 | - | 1VF | C21 H20 N2 O3 | CN1CCN(CC1.... |
39 | 5NVE | ic50 = 35 nM | 9AQ | C16 H14 N2 O2 | CCOc1ccc(c.... |
40 | 4L2G | - | 1V4 | C15 H9 F O2 | c1ccc(cc1).... |
41 | 4KZL | - | 20D | C15 H9 F O2 | c1ccc2c(c1.... |
42 | 5ZQP | ic50 = 18.3 nM | 9H3 | C20 H21 N3 O3 | c1ccc2c(c1.... |
43 | 5ZQQ | - | 9H6 | C21 H24 N4 O2 | CN1c2ccccc.... |
44 | 5ZQO | ic50 = 19.4 nM | 9GX | C19 H24 N4 O2 | COc1ccccc1.... |
45 | 6A84 | ic50 = 5.3 nM | 9SU | C20 H23 Cl N4 O | c1cc2c(c(c.... |
46 | 5ZQR | ic50 = 10.6 nM | 9H9 | C22 H26 F2 N4 O2 | c1c(cc(c2c.... |
47 | 6KRO | ic50 = 39.2 nM | DU9 | C27 H35 F N6 O3 | C[C@@H]1CN.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 9 families. | |||||
1 | 4L10 | - | A63 | C16 H12 O3 | COc1ccc(cc.... |
2 | 5NSP | ic50 = 0.34 uM | 97E | C26 H15 Cl N8 O | c1ccc(c(c1.... |
3 | 5NWC | ic50 = 700 nM | 9CE | C14 H11 N3 O | c1ccc(c(c1.... |
4 | 4L33 | - | F70 | C18 H11 N O4 | c1ccc2c(c1.... |
5 | 4UI4 | ic50 = 45 nM | RJN | C23 H19 N3 O3 | c1ccc(cc1).... |
6 | 5NWB | ic50 = 16 nM | 9C5 | C17 H17 N3 O2 | CN(CCO)c1c.... |
7 | 5NVC | ic50 = 650 nM | 9AN | C14 H10 N2 O2 | c1ccc2c(c1.... |
8 | 4KZQ | - | DFL | C15 H12 O3 | c1ccc2c(c1.... |
9 | 4L2K | - | 1V8 | C16 H10 O4 | c1ccc2c(c1.... |
10 | 5NT0 | ic50 = 280 nM | 97H | C14 H11 N3 O | c1ccc2c(c1.... |
11 | 4UI6 | ic50 = 87 nM | ECZ | C16 H11 F3 N2 O2 | COc1cccc2c.... |
12 | 4UI8 | ic50 = 25 nM | IY5 | C15 H9 F3 N2 O2 | c1cc2c(c(c.... |
13 | 4L0V | - | 1V1 | C15 H9 Cl O2 | c1ccc2c(c1.... |
14 | 4L31 | - | F08 | C17 H12 O4 | COC(=O)c1c.... |
15 | 5NVH | ic50 = 15 nM | 9B2 | C19 H19 N3 O | c1ccc2c(c1.... |
16 | 4L2F | - | 1V3 | C15 H9 Cl O2 | c1ccc(cc1).... |
17 | 4UI3 | ic50 = 133 nM | 06R | C15 H9 F3 N2 O | c1ccc2c(c1.... |
18 | 4KZU | - | A73 | C15 H9 Br O2 | c1ccc2c(c1.... |
19 | 4UVP | - | NGJ | C11 H12 N2 O | CCC1=Cc2c(.... |
20 | 5ADS | ic50 = 2.15 uM | QNS | C25 H25 Cl N2 O5 | COc1ccc(cc.... |
21 | 5NVF | ic50 = 16 nM | 9AW | C19 H13 N3 O | c1ccc2c(c1.... |
22 | 5ADR | ic50 = 2.3 uM | QS5 | C26 H28 N2 O5 | Cc1ccc(o1).... |
23 | 5NWG | ic50 = 660 nM | 9CB | C17 H16 Cl N3 O2 | CN(CCO)c1c.... |
24 | 4L09 | - | 1UR | C16 H10 O4 | c1ccc2c(c1.... |
25 | 4L34 | - | 1VG | C16 H10 N4 O2 | c1ccc2c(c1.... |
26 | 4L0S | - | 1UZ | C16 H9 N O2 | c1ccc2c(c1.... |
27 | 5NSX | ic50 = 400 nM | 97K | C15 H10 N4 O | c1ccc2c(c1.... |
28 | 4UI5 | ic50 = 167 nM | BJ4 | C16 H14 N2 O2 | Cc1ccc(cc1.... |
29 | 5ADQ | ic50 = 2.01 uM | A95 | C25 H26 N2 O5 | COc1ccc(cc.... |
30 | 5NT4 | ic50 = 17 nM | 97Z | C18 H17 N3 O2 | c1ccc2c(c1.... |
31 | 4UI7 | ic50 = 44 nM | VT3 | C15 H12 N2 O2 | Cc1ccc(cc1.... |
32 | 5NWD | ic50 = 10 nM | 9C8 | C18 H19 N3 O | CCN(CC)c1c.... |
33 | 4L0T | ic50 = 140 nM | 1V0 | C15 H9 N O4 | c1ccc2c(c1.... |
34 | 5ADT | ic50 = 2.23 uM | 1TC | C25 H26 Cl N3 O5 | Cc1ncc(o1).... |
35 | 5NXE | - | 9D5 | C17 H19 N3 O2 | CN(CCO)c1c.... |
36 | 4L0I | - | 1UW | C18 H14 O4 | CCOC(=O)c1.... |
37 | 4L0B | - | 1UT | C17 H15 N O2 | CN(C)c1ccc.... |
38 | 4L32 | - | 1VF | C21 H20 N2 O3 | CN1CCN(CC1.... |
39 | 5NVE | ic50 = 35 nM | 9AQ | C16 H14 N2 O2 | CCOc1ccc(c.... |
40 | 4L2G | - | 1V4 | C15 H9 F O2 | c1ccc(cc1).... |
41 | 4KZL | - | 20D | C15 H9 F O2 | c1ccc2c(c1.... |
42 | 5ZQP | ic50 = 18.3 nM | 9H3 | C20 H21 N3 O3 | c1ccc2c(c1.... |
43 | 5ZQQ | - | 9H6 | C21 H24 N4 O2 | CN1c2ccccc.... |
44 | 5ZQO | ic50 = 19.4 nM | 9GX | C19 H24 N4 O2 | COc1ccccc1.... |
45 | 6A84 | ic50 = 5.3 nM | 9SU | C20 H23 Cl N4 O | c1cc2c(c(c.... |
46 | 5ZQR | ic50 = 10.6 nM | 9H9 | C22 H26 F2 N4 O2 | c1c(cc(c2c.... |
47 | 6KRO | ic50 = 39.2 nM | DU9 | C27 H35 F N6 O3 | C[C@@H]1CN.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 1VG | 0.9619 |
2 | W2E | 0.9582 |
3 | F36 | 0.9555 |
4 | 32F | 0.9543 |
5 | 1V0 | 0.9490 |
6 | 29F | 0.9464 |
7 | 9B2 | 0.9416 |
8 | 06R | 0.9412 |
9 | GN5 | 0.9374 |
10 | 31F | 0.9360 |
11 | 9C8 | 0.9350 |
12 | 97Z | 0.9349 |
13 | F38 | 0.9346 |
14 | 1UT | 0.9332 |
15 | O53 | 0.9326 |
16 | 2ZI | 0.9315 |
17 | IY5 | 0.9303 |
18 | XAV | 0.9288 |
19 | F37 | 0.9258 |
20 | U1T | 0.9256 |
21 | 27F | 0.9239 |
22 | 91F | 0.9227 |
23 | 9AW | 0.9214 |
24 | 08C | 0.9196 |
25 | M16 | 0.9183 |
26 | KC8 | 0.9181 |
27 | 5WW | 0.9175 |
28 | L43 | 0.9168 |
29 | 2UV | 0.9159 |
30 | JKN | 0.9150 |
31 | 72H | 0.9140 |
32 | F33 | 0.9119 |
33 | SNP | 0.9069 |
34 | 97K | 0.9048 |
35 | TVZ | 0.9047 |
36 | GA6 | 0.9037 |
37 | 3JD | 0.9023 |
38 | S1C | 0.9023 |
39 | 5TU | 0.9019 |
40 | 55H | 0.9013 |
41 | 5B3 | 0.9011 |
42 | JL9 | 0.9006 |
43 | 7FC | 0.8992 |
44 | WF4 | 0.8981 |
45 | 88S | 0.8973 |
46 | ECZ | 0.8973 |
47 | 9GX | 0.8970 |
48 | 3G5 | 0.8966 |
49 | MRE | 0.8966 |
50 | BZH | 0.8957 |
51 | NKI | 0.8949 |
52 | 3K1 | 0.8937 |
53 | Z8R | 0.8934 |
54 | S16 | 0.8932 |
55 | JQF | 0.8919 |
56 | CVF | 0.8913 |
57 | AU6 | 0.8902 |
58 | F35 | 0.8900 |
59 | OSY | 0.8894 |
60 | RGK | 0.8883 |
61 | 338 | 0.8866 |
62 | 1VF | 0.8864 |
63 | DFL | 0.8864 |
64 | 25F | 0.8855 |
65 | X2L | 0.8850 |
66 | J8D | 0.8848 |
67 | OSG | 0.8848 |
68 | 124 | 0.8843 |
69 | 106 | 0.8841 |
70 | A26 | 0.8836 |
71 | 7GK | 0.8830 |
72 | LX8 | 0.8828 |
73 | 9SU | 0.8826 |
74 | 6JP | 0.8822 |
75 | 802 | 0.8822 |
76 | 1SX | 0.8819 |
77 | F1T | 0.8817 |
78 | H2W | 0.8808 |
79 | BMZ | 0.8806 |
80 | 9H3 | 0.8799 |
81 | 576 | 0.8794 |
82 | CDJ | 0.8791 |
83 | CR4 | 0.8790 |
84 | SZ5 | 0.8786 |
85 | E9L | 0.8783 |
86 | LS1 | 0.8782 |
87 | P34 | 0.8779 |
88 | 68Q | 0.8779 |
89 | JV8 | 0.8777 |
90 | TUE | 0.8774 |
91 | 65W | 0.8773 |
92 | 907 | 0.8768 |
93 | 135 | 0.8766 |
94 | 0NJ | 0.8764 |
95 | LS5 | 0.8763 |
96 | MBT | 0.8760 |
97 | OAQ | 0.8757 |
98 | 8E6 | 0.8756 |
99 | 801 | 0.8756 |
100 | 3F4 | 0.8755 |
101 | RGZ | 0.8752 |
102 | 1ND | 0.8751 |
103 | 120 | 0.8750 |
104 | E92 | 0.8749 |
105 | W8L | 0.8747 |
106 | LZ3 | 0.8744 |
107 | 6T5 | 0.8741 |
108 | OU1 | 0.8739 |
109 | OSJ | 0.8739 |
110 | 8E3 | 0.8734 |
111 | 7FZ | 0.8734 |
112 | J45 | 0.8732 |
113 | M3W | 0.8730 |
114 | M85 | 0.8727 |
115 | DX8 | 0.8722 |
116 | WLH | 0.8720 |
117 | AGI | 0.8710 |
118 | NAR | 0.8705 |
119 | DFV | 0.8701 |
120 | 57U | 0.8695 |
121 | 334 | 0.8688 |
122 | 0S0 | 0.8682 |
123 | 9M9 | 0.8680 |
124 | OSD | 0.8679 |
125 | 797 | 0.8677 |
126 | E98 | 0.8675 |
127 | O9T | 0.8675 |
128 | YDI | 0.8671 |
129 | 8XY | 0.8666 |
130 | VT3 | 0.8662 |
131 | LU2 | 0.8662 |
132 | O9Z | 0.8657 |
133 | 6BK | 0.8657 |
134 | PW8 | 0.8656 |
135 | 3TI | 0.8654 |
136 | QDR | 0.8651 |
137 | 9RB | 0.8642 |
138 | 136 | 0.8638 |
139 | JL7 | 0.8628 |
140 | 2X1 | 0.8626 |
141 | 6QX | 0.8623 |
142 | 8M5 | 0.8623 |
143 | AO | 0.8616 |
144 | GXK | 0.8614 |
145 | A1Z | 0.8608 |
146 | 8EC | 0.8606 |
147 | BDE | 0.8601 |
148 | DN8 | 0.8600 |
149 | 123 | 0.8587 |
150 | FTA | 0.8582 |
151 | 0FZ | 0.8565 |
152 | 4UE | 0.8542 |
153 | 3NB | 0.8534 |
This union binding pocket(no: 1) in the query (biounit: 5nwd.bio2) has 76 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5nwd.bio1) has 54 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6W65 | T9D | 36.7347 |