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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 3 families. | |||||
1 | 2IBA | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
2 | 3PKU | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
3 | 3PK4 | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
4 | 3PK6 | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
5 | 3PK8 | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
6 | 2FXL | - | 2AL | C4 H4 N4 O3 | C1(=O)C(=N.... |
7 | 3PKF | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
8 | 3PLI | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
9 | 2ICQ | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
10 | 2IC0 | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
11 | 4CW2 | - | XDS | C6 H6 N4 O5 | CN1C2=NC(=.... |
12 | 4D13 | - | IUP | C5 H4 N4 O5 | C12=NC(=O).... |
13 | 3L9G | - | URC | C5 H4 N4 O3 | C12=C(NC(=.... |
14 | 1WRR | - | UNC | C4 H4 N4 O4 | C1(=C(NC(=.... |
15 | 2FUB | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
16 | 4D19 | - | URC | C5 H4 N4 O3 | C12=C(NC(=.... |
17 | 3PLE | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
18 | 2ZKA | - | OXY | O2 | O=O |
19 | 3L8W | - | XAN | C5 H4 N4 O2 | c1[nH]c2c(.... |
20 | 1R4S | - | MUA | C6 H6 N4 O3 | CN1C2=C(C(.... |
21 | 3LBG | - | 8TX | C5 H4 N4 O2 S | C12=C(NC(=.... |
22 | 3PKL | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
23 | 3PLJ | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
24 | 3CKS | - | OXY | O2 | O=O |
25 | 3PKK | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
26 | 4PR8 | - | URC | C5 H4 N4 O3 | C12=C(NC(=.... |
27 | 3PLM | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
28 | 2ZKB | - | OXY | O2 | O=O |
29 | 3BK8 | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
30 | 3PKT | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
31 | 3PLH | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
32 | 3OBP | - | URC | C5 H4 N4 O3 | C12=C(NC(=.... |
33 | 3PKH | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
34 | 4N9V | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
35 | 3PK5 | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
36 | 1XT4 | - | GUN | C5 H5 N5 O | c1[nH]c2c(.... |
37 | 4D12 | - | URC | C5 H4 N4 O3 | C12=C(NC(=.... |
38 | 1R51 | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
39 | 4CW6 | - | XDS | C6 H6 N4 O5 | CN1C2=NC(=.... |
40 | 1R4U | - | OXC | C4 H5 N3 O4 | C1(NC(=O)N.... |
41 | 3BJP | - | URC | C5 H4 N4 O3 | C12=C(NC(=.... |
42 | 3PLG | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
43 | 3PKS | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
44 | 3CKU | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
45 | 3PKG | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
46 | 4CW0 | - | MUA | C6 H6 N4 O3 | CN1C2=C(C(.... |
47 | 3LD4 | - | 8NX | C5 H3 N5 O4 | c12c(nc([n.... |
48 | 3PK3 | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
49 | 4CW3 | - | XDS | C6 H6 N4 O5 | CN1C2=NC(=.... |
50 | 4D17 | - | URC | C5 H4 N4 O3 | C12=C(NC(=.... |
51 | 3PJK | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 2IBA | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
2 | 3PKU | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
3 | 3PK4 | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
4 | 3PK6 | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
5 | 3PK8 | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
6 | 2FXL | - | 2AL | C4 H4 N4 O3 | C1(=O)C(=N.... |
7 | 3PKF | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
8 | 3PLI | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
9 | 2ICQ | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
10 | 2IC0 | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
11 | 4CW2 | - | XDS | C6 H6 N4 O5 | CN1C2=NC(=.... |
12 | 4D13 | - | IUP | C5 H4 N4 O5 | C12=NC(=O).... |
13 | 3L9G | - | URC | C5 H4 N4 O3 | C12=C(NC(=.... |
14 | 1WRR | - | UNC | C4 H4 N4 O4 | C1(=C(NC(=.... |
15 | 2FUB | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
16 | 4D19 | - | URC | C5 H4 N4 O3 | C12=C(NC(=.... |
17 | 3PLE | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
18 | 2ZKA | - | OXY | O2 | O=O |
19 | 3L8W | - | XAN | C5 H4 N4 O2 | c1[nH]c2c(.... |
20 | 1R4S | - | MUA | C6 H6 N4 O3 | CN1C2=C(C(.... |
21 | 3LBG | - | 8TX | C5 H4 N4 O2 S | C12=C(NC(=.... |
22 | 3PKL | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
23 | 3PLJ | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
24 | 3CKS | - | OXY | O2 | O=O |
25 | 3PKK | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
26 | 4PR8 | - | URC | C5 H4 N4 O3 | C12=C(NC(=.... |
27 | 3PLM | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
28 | 2ZKB | - | OXY | O2 | O=O |
29 | 3BK8 | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
30 | 3PKT | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
31 | 3PLH | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
32 | 3OBP | - | URC | C5 H4 N4 O3 | C12=C(NC(=.... |
33 | 3PKH | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
34 | 4N9V | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
35 | 3PK5 | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
36 | 1XT4 | - | GUN | C5 H5 N5 O | c1[nH]c2c(.... |
37 | 4D12 | - | URC | C5 H4 N4 O3 | C12=C(NC(=.... |
38 | 1R51 | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
39 | 4CW6 | - | XDS | C6 H6 N4 O5 | CN1C2=NC(=.... |
40 | 1R4U | - | OXC | C4 H5 N3 O4 | C1(NC(=O)N.... |
41 | 3BJP | - | URC | C5 H4 N4 O3 | C12=C(NC(=.... |
42 | 3PLG | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
43 | 3PKS | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
44 | 3CKU | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
45 | 3PKG | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
46 | 4CW0 | - | MUA | C6 H6 N4 O3 | CN1C2=C(C(.... |
47 | 3LD4 | - | 8NX | C5 H3 N5 O4 | c12c(nc([n.... |
48 | 3PK3 | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
49 | 4CW3 | - | XDS | C6 H6 N4 O5 | CN1C2=NC(=.... |
50 | 4D17 | - | URC | C5 H4 N4 O3 | C12=C(NC(=.... |
51 | 3PJK | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
52 | 1VAY | - | AZA | C4 H3 N5 O2 | c12c([nH]n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | IUP | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | URC | 0.9196 |
2 | 8TX | 0.9120 |
3 | MAN | 0.9069 |
4 | LFR | 0.9015 |
5 | MMA | 0.9004 |
6 | GAL | 0.8972 |
7 | J9W | 0.8971 |
8 | 149 | 0.8953 |
9 | GLA | 0.8943 |
10 | BTY | 0.8940 |
11 | 2FG | 0.8938 |
12 | 4HC | 0.8934 |
13 | DGJ | 0.8933 |
14 | 5JQ | 0.8926 |
15 | AZ8 | 0.8916 |
16 | BDF | 0.8912 |
17 | B55 | 0.8903 |
18 | XAN | 0.8902 |
19 | 75K | 0.8900 |
20 | DQA | 0.8899 |
21 | GUN | 0.8897 |
22 | 5JL | 0.8887 |
23 | QBK | 0.8886 |
24 | FA3 | 0.8885 |
25 | 9DG | 0.8877 |
26 | IF7 | 0.8876 |
27 | SF9 | 0.8872 |
28 | 8IG | 0.8869 |
29 | XAZ | 0.8867 |
30 | FA1 | 0.8857 |
31 | MUA | 0.8851 |
32 | QX4 | 0.8842 |
33 | 15L | 0.8839 |
34 | AH8 | 0.8833 |
35 | 7A2 | 0.8827 |
36 | VNL | 0.8827 |
37 | PE0 | 0.8825 |
38 | AZA | 0.8825 |
39 | CTS | 0.8821 |
40 | 141 | 0.8820 |
41 | MEW | 0.8817 |
42 | CFP | 0.8814 |
43 | A2F | 0.8813 |
44 | Q24 | 0.8809 |
45 | ADA | 0.8809 |
46 | DQU | 0.8807 |
47 | X6X | 0.8806 |
48 | 6ME | 0.8805 |
49 | M6N | 0.8804 |
50 | FLC | 0.8803 |
51 | 6AP | 0.8800 |
52 | AZG | 0.8799 |
53 | AFR | 0.8796 |
54 | IGA | 0.8792 |
55 | CIT | 0.8791 |
56 | ES0 | 0.8790 |
57 | AQO | 0.8788 |
58 | 44V | 0.8786 |
59 | SOE | 0.8786 |
60 | YH7 | 0.8779 |
61 | 9MG | 0.8776 |
62 | 1XM | 0.8773 |
63 | 9PY | 0.8772 |
64 | 44W | 0.8772 |
65 | B62 | 0.8768 |
66 | VK3 | 0.8763 |
67 | YIO | 0.8762 |
68 | CWM | 0.8762 |
69 | 290 | 0.8756 |
70 | BOA | 0.8756 |
71 | 0P6 | 0.8756 |
72 | ASC | 0.8754 |
73 | AI2 | 0.8753 |
74 | M5K | 0.8751 |
75 | MVL | 0.8750 |
76 | 1GN | 0.8749 |
77 | 3Z8 | 0.8745 |
78 | DX4 | 0.8742 |
79 | 6GU | 0.8741 |
80 | 7D2 | 0.8740 |
81 | ENL | 0.8740 |
82 | AJ2 | 0.8739 |
83 | 7ME | 0.8738 |
84 | MBG | 0.8733 |
85 | HH5 | 0.8728 |
86 | 8S0 | 0.8728 |
87 | M1Q | 0.8728 |
88 | KDF | 0.8726 |
89 | EA1 | 0.8719 |
90 | EMZ | 0.8719 |
91 | A7W | 0.8717 |
92 | GTR | 0.8713 |
93 | OTW | 0.8709 |
94 | GAF | 0.8707 |
95 | XHP | 0.8704 |
96 | NQ | 0.8703 |
97 | SXS | 0.8701 |
98 | BCP | 0.8701 |
99 | DZX | 0.8700 |
100 | Q88 | 0.8699 |
101 | FDB | 0.8698 |
102 | 2H5 | 0.8696 |
103 | KJU | 0.8696 |
104 | 0CU | 0.8695 |
105 | GTZ | 0.8691 |
106 | XYS | 0.8691 |
107 | Q71 | 0.8690 |
108 | 2GS | 0.8688 |
109 | DOR | 0.8682 |
110 | FRU | 0.8682 |
111 | 4MU | 0.8680 |
112 | BGC | 0.8678 |
113 | GLC | 0.8678 |
114 | INE | 0.8677 |
115 | FA6 | 0.8677 |
116 | ET2 | 0.8677 |
117 | 5DI | 0.8671 |
118 | 7VS | 0.8670 |
119 | RXA | 0.8667 |
120 | 0MK | 0.8665 |
121 | AZ9 | 0.8663 |
122 | 1P8 | 0.8662 |
123 | KDG | 0.8662 |
124 | 8WO | 0.8661 |
125 | 0FO | 0.8658 |
126 | 5OB | 0.8655 |
127 | SYV | 0.8653 |
128 | MVN | 0.8653 |
129 | 0W8 | 0.8650 |
130 | QIC | 0.8647 |
131 | M0W | 0.8647 |
132 | GLF | 0.8646 |
133 | HMQ | 0.8645 |
134 | FYU | 0.8643 |
135 | 4M0 | 0.8642 |
136 | HA7 | 0.8638 |
137 | 8WQ | 0.8634 |
138 | VGD | 0.8631 |
139 | 1NP | 0.8628 |
140 | SWA | 0.8625 |
141 | 2AK | 0.8621 |
142 | 7HQ | 0.8617 |
143 | 3S4 | 0.8614 |
144 | UAN | 0.8614 |
145 | NHC | 0.8611 |
146 | ES2 | 0.8611 |
147 | 7ZE | 0.8610 |
148 | DBH | 0.8610 |
149 | HPA | 0.8608 |
150 | 36R | 0.8607 |
151 | Q7A | 0.8606 |
152 | SF6 | 0.8604 |
153 | APG | 0.8603 |
154 | OXC | 0.8602 |
155 | K2P | 0.8598 |
156 | GZ8 | 0.8598 |
157 | X05 | 0.8594 |
158 | 8NX | 0.8594 |
159 | PX7 | 0.8593 |
160 | 3M0 | 0.8592 |
161 | HQD | 0.8590 |
162 | ORO | 0.8589 |
163 | 8WT | 0.8588 |
164 | 6VD | 0.8588 |
165 | B5D | 0.8587 |
166 | FOT | 0.8587 |
167 | 4ME | 0.8587 |
168 | BZX | 0.8585 |
169 | 1LQ | 0.8585 |
170 | 5XR | 0.8584 |
171 | B0D | 0.8583 |
172 | 0N7 | 0.8582 |
173 | YQA | 0.8579 |
174 | NGA | 0.8576 |
175 | ODO | 0.8574 |
176 | M1H | 0.8572 |
177 | UEG | 0.8571 |
178 | 5WY | 0.8569 |
179 | 4JT | 0.8568 |
180 | TEP | 0.8565 |
181 | 3HA | 0.8563 |
182 | ALL | 0.8561 |
183 | BZ3 | 0.8558 |
184 | JF2 | 0.8558 |
185 | QAT | 0.8553 |
186 | NTZ | 0.8550 |
187 | REL | 0.8543 |
188 | IJZ | 0.8542 |
189 | CLZ | 0.8538 |
190 | HNQ | 0.8535 |
191 | A13 | 0.8530 |
192 | QPR | 0.8520 |
This union binding pocket(no: 1) in the query (biounit: 3l8w.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3l8w.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 3l8w.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 3l8w.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |