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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 | 3V7Y | - | A3N | C13 H16 N6 O3 | C#CCNC[C@@.... |
2 | 2Q5F | Ki = 0.02 mM | DTA | C20 H24 N10 O6 S2 | c1nc(c2c(n.... |
3 | 6RGD | - | K2W | C24 H29 N11 O7 | c1nc(c2c(n.... |
4 | 3V8M | - | Z8B | C10 H11 Br N8 O3 | c1nc(c2c(n.... |
5 | 6RC5 | - | JYB | C9 H9 N5 | CCn1c(nc2c.... |
6 | 6RBX | - | JYT | C8 H10 Br N5 O | c1nc(c2c(n.... |
7 | 3V8P | - | ZNB | C22 H26 Br N14 O7 S | c1nc(c2c(n.... |
8 | 3V7W | - | ZAS | C10 H13 N8 O3 | c1nc(c2c(n.... |
9 | 6RBO | - | JXQ | C11 H13 N5 | C#CCCCCn1c.... |
10 | 4DY6 | - | A22 | C20 H27 N10 O16 P3 | c1nc(c2c(n.... |
11 | 6RR2 | - | MTA | C11 H15 N5 O3 S | CSC[C@@H]1.... |
12 | 3V80 | - | AOC | C13 H15 N5 O4 | C#CCOC[C@@.... |
13 | 2I2A | Ki = 0.04 mM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
14 | 6RG8 | - | K2K | C19 H21 N11 O3 | c1nc(c2c(n.... |
15 | 6RBV | - | JYE | C8 H9 Br N8 | c1nc(c2c(n.... |
16 | 2I2D | - | A2D | C20 H26 N10 O13 P2 | c1nc(c2c(n.... |
17 | 6RGB | - | K38 | C23 H27 N11 O7 | c1nc(c2c(n.... |
18 | 5DHQ | Ki = 2 uM | 5AK | C20 H23 Br N6 O5 S | c1cc(cc(c1.... |
19 | 3V8R | - | 5NB | C10 H13 Br N6 O3 | c1nc(c2c(n.... |
20 | 2I2C | Ki = 0.02 mM | DTA | C20 H24 N10 O6 S2 | c1nc(c2c(n.... |
21 | 6RGC | - | K3H | C24 H29 N11 O7 | CN(CC#Cc1n.... |
22 | 6RBU | - | JYK | C7 H7 Br N8 | c1nc(c2c(n.... |
23 | 2I2F | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
24 | 6RBY | - | JYW | C9 H12 Br N5 O | c1nc(c2c(n.... |
25 | 2I29 | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
26 | 6RC3 | - | JXW | C8 H10 Cl N5 | Cc1nc2c(nc.... |
27 | 3V8Q | - | 5N5 | C10 H14 N6 O3 | c1nc(c2c(n.... |
28 | 6RBP | - | JYN | C9 H12 N8 | c1nc(c2c(n.... |
29 | 6RC4 | - | JXZ | C8 H11 N5 O | Cc1nc2c(nc.... |
30 | 6RBS | - | JXT | C10 H10 Br N5 | C#CCCCn1c2.... |
31 | 6RBR | - | JXN | C7 H8 Br N5 | CCn1c2c(c(.... |
32 | 6RG9 | - | K3K | C23 H26 N10 O8 | c1nc(c2c(n.... |
33 | 2I2B | - | CC5 | C9 H11 N5 O3 | c1nc(c2c(n.... |
34 | 5DHR | Ki = 23 uM | 5AJ | C21 H23 N11 O4 S | c1ccc2c(c1.... |
35 | 6RGA | - | K3E | C23 H27 N11 O7 | c1nc(c2c(n.... |
36 | 6RBW | - | JXB | C9 H11 Br N8 | c1nc(c2c(n.... |
37 | 6RBQ | - | JYQ | C11 H15 N5 O S | CC(=O)SCCC.... |
38 | 6RBZ | - | JXK | C8 H11 Br N6 | c1nc(c2c(n.... |
39 | 3V8N | - | 5NB | C10 H13 Br N6 O3 | c1nc(c2c(n.... |
40 | 5DHP | Ki = 140 uM | 5AQ | C20 H24 N6 O5 S | c1ccc(cc1).... |
41 | 6RC2 | - | JY2 | C11 H13 N5 | Cc1nc2c(nc.... |
42 | 6RG7 | - | K2H | C19 H21 N11 O3 | CN(CC#Cc1[.... |
43 | 5DHU | Ki = 0.5 uM | 5A8 | C22 H24 N10 O4 S | c1ccc2c(c1.... |
44 | 6RC6 | - | JY5 | C13 H15 N5 O2 | c1nc(c2c(n.... |
45 | 3V7U | - | MTA | C11 H15 N5 O3 S | CSC[C@@H]1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 3V7Y | - | A3N | C13 H16 N6 O3 | C#CCNC[C@@.... |
2 | 2Q5F | Ki = 0.02 mM | DTA | C20 H24 N10 O6 S2 | c1nc(c2c(n.... |
3 | 6RGD | - | K2W | C24 H29 N11 O7 | c1nc(c2c(n.... |
4 | 3V8M | - | Z8B | C10 H11 Br N8 O3 | c1nc(c2c(n.... |
5 | 6RC5 | - | JYB | C9 H9 N5 | CCn1c(nc2c.... |
6 | 6RBX | - | JYT | C8 H10 Br N5 O | c1nc(c2c(n.... |
7 | 3V8P | - | ZNB | C22 H26 Br N14 O7 S | c1nc(c2c(n.... |
8 | 3V7W | - | ZAS | C10 H13 N8 O3 | c1nc(c2c(n.... |
9 | 6RBO | - | JXQ | C11 H13 N5 | C#CCCCCn1c.... |
10 | 4DY6 | - | A22 | C20 H27 N10 O16 P3 | c1nc(c2c(n.... |
11 | 6RR2 | - | MTA | C11 H15 N5 O3 S | CSC[C@@H]1.... |
12 | 3V80 | - | AOC | C13 H15 N5 O4 | C#CCOC[C@@.... |
13 | 2I2A | Ki = 0.04 mM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
14 | 6RG8 | - | K2K | C19 H21 N11 O3 | c1nc(c2c(n.... |
15 | 6RBV | - | JYE | C8 H9 Br N8 | c1nc(c2c(n.... |
16 | 2I2D | - | A2D | C20 H26 N10 O13 P2 | c1nc(c2c(n.... |
17 | 6RGB | - | K38 | C23 H27 N11 O7 | c1nc(c2c(n.... |
18 | 5DHQ | Ki = 2 uM | 5AK | C20 H23 Br N6 O5 S | c1cc(cc(c1.... |
19 | 3V8R | - | 5NB | C10 H13 Br N6 O3 | c1nc(c2c(n.... |
20 | 2I2C | Ki = 0.02 mM | DTA | C20 H24 N10 O6 S2 | c1nc(c2c(n.... |
21 | 6RGC | - | K3H | C24 H29 N11 O7 | CN(CC#Cc1n.... |
22 | 6RBU | - | JYK | C7 H7 Br N8 | c1nc(c2c(n.... |
23 | 2I2F | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
24 | 6RBY | - | JYW | C9 H12 Br N5 O | c1nc(c2c(n.... |
25 | 2I29 | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
26 | 6RC3 | - | JXW | C8 H10 Cl N5 | Cc1nc2c(nc.... |
27 | 3V8Q | - | 5N5 | C10 H14 N6 O3 | c1nc(c2c(n.... |
28 | 6RBP | - | JYN | C9 H12 N8 | c1nc(c2c(n.... |
29 | 6RC4 | - | JXZ | C8 H11 N5 O | Cc1nc2c(nc.... |
30 | 6RBS | - | JXT | C10 H10 Br N5 | C#CCCCn1c2.... |
31 | 6RBR | - | JXN | C7 H8 Br N5 | CCn1c2c(c(.... |
32 | 6RG9 | - | K3K | C23 H26 N10 O8 | c1nc(c2c(n.... |
33 | 2I2B | - | CC5 | C9 H11 N5 O3 | c1nc(c2c(n.... |
34 | 5DHR | Ki = 23 uM | 5AJ | C21 H23 N11 O4 S | c1ccc2c(c1.... |
35 | 6RGA | - | K3E | C23 H27 N11 O7 | c1nc(c2c(n.... |
36 | 6RBW | - | JXB | C9 H11 Br N8 | c1nc(c2c(n.... |
37 | 6RBQ | - | JYQ | C11 H15 N5 O S | CC(=O)SCCC.... |
38 | 6RBZ | - | JXK | C8 H11 Br N6 | c1nc(c2c(n.... |
39 | 3V8N | - | 5NB | C10 H13 Br N6 O3 | c1nc(c2c(n.... |
40 | 5DHP | Ki = 140 uM | 5AQ | C20 H24 N6 O5 S | c1ccc(cc1).... |
41 | 6RC2 | - | JY2 | C11 H13 N5 | Cc1nc2c(nc.... |
42 | 6RG7 | - | K2H | C19 H21 N11 O3 | CN(CC#Cc1[.... |
43 | 5DHU | Ki = 0.5 uM | 5A8 | C22 H24 N10 O4 S | c1ccc2c(c1.... |
44 | 6RC6 | - | JY5 | C13 H15 N5 O2 | c1nc(c2c(n.... |
45 | 3V7U | - | MTA | C11 H15 N5 O3 S | CSC[C@@H]1.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | JY2 | 0.9797 |
2 | EV3 | 0.9288 |
3 | JXW | 0.9262 |
4 | TRP | 0.9238 |
5 | AC2 | 0.9237 |
6 | 96R | 0.9230 |
7 | JXZ | 0.9220 |
8 | IOP | 0.9201 |
9 | 3IB | 0.9180 |
10 | EYA | 0.9178 |
11 | 8XL | 0.9169 |
12 | EY7 | 0.9156 |
13 | 7MX | 0.9129 |
14 | LZB | 0.9119 |
15 | EYM | 0.9106 |
16 | F95 | 0.9104 |
17 | NLA | 0.9091 |
18 | LTN | 0.9091 |
19 | SBK | 0.9074 |
20 | 96Z | 0.9073 |
21 | 7FF | 0.9073 |
22 | 8Y7 | 0.9066 |
23 | NWD | 0.9065 |
24 | DTE | 0.9064 |
25 | CTE | 0.9060 |
26 | AMR | 0.9050 |
27 | DTR | 0.9047 |
28 | 9BF | 0.9044 |
29 | F52 | 0.9042 |
30 | GSY | 0.9040 |
31 | ALN | 0.9036 |
32 | ASE | 0.9034 |
33 | HWH | 0.9033 |
34 | NVU | 0.9023 |
35 | B5A | 0.9018 |
36 | EYY | 0.9017 |
37 | TSR | 0.9012 |
38 | 8RK | 0.9008 |
39 | 1QP | 0.9005 |
40 | 5V7 | 0.9002 |
41 | IAC | 0.9000 |
42 | KWH | 0.9000 |
43 | VYM | 0.8999 |
44 | KWQ | 0.8984 |
45 | 39Z | 0.8982 |
46 | 9UG | 0.8971 |
47 | JHY | 0.8971 |
48 | 2N0 | 0.8969 |
49 | C9E | 0.8960 |
50 | 8HG | 0.8960 |
51 | HBI | 0.8953 |
52 | NAL | 0.8950 |
53 | M3Q | 0.8947 |
54 | 67Y | 0.8947 |
55 | 3IL | 0.8942 |
56 | FWD | 0.8940 |
57 | OIA | 0.8936 |
58 | 9F8 | 0.8933 |
59 | ONZ | 0.8931 |
60 | E7R | 0.8925 |
61 | NPL | 0.8924 |
62 | M1D | 0.8921 |
63 | 1Q4 | 0.8918 |
64 | IOS | 0.8916 |
65 | G6P | 0.8910 |
66 | XEN | 0.8910 |
67 | F5C | 0.8907 |
68 | 790 | 0.8907 |
69 | RVE | 0.8904 |
70 | CC5 | 0.8903 |
71 | SRO | 0.8902 |
72 | ITW | 0.8899 |
73 | I2E | 0.8896 |
74 | Q5M | 0.8892 |
75 | B41 | 0.8892 |
76 | GTV | 0.8881 |
77 | H4B | 0.8880 |
78 | NBV | 0.8877 |
79 | PMM | 0.8874 |
80 | CWD | 0.8860 |
81 | APS | 0.8857 |
82 | 3N4 | 0.8857 |
83 | EXR | 0.8852 |
84 | R4E | 0.8852 |
85 | ML1 | 0.8851 |
86 | MQB | 0.8850 |
87 | 5WU | 0.8848 |
88 | IQU | 0.8848 |
89 | BB4 | 0.8847 |
90 | 4OG | 0.8846 |
91 | 0LH | 0.8830 |
92 | IBM | 0.8830 |
93 | BWD | 0.8825 |
94 | MS0 | 0.8824 |
95 | P9T | 0.8821 |
96 | T6Z | 0.8820 |
97 | YKG | 0.8817 |
98 | TSS | 0.8816 |
99 | FT6 | 0.8814 |
100 | SYE | 0.8813 |
101 | LZ2 | 0.8812 |
102 | ARP | 0.8809 |
103 | BIO | 0.8797 |
104 | 7CT | 0.8796 |
105 | 982 | 0.8794 |
106 | PVK | 0.8793 |
107 | OUB | 0.8793 |
108 | 3SU | 0.8792 |
109 | CFA | 0.8791 |
110 | BG6 | 0.8790 |
111 | 5F1 | 0.8789 |
112 | XFE | 0.8789 |
113 | MDR | 0.8785 |
114 | XG1 | 0.8785 |
115 | 3D1 | 0.8782 |
116 | 5WN | 0.8779 |
117 | EGR | 0.8778 |
118 | IWD | 0.8777 |
119 | NFM | 0.8777 |
120 | MMS | 0.8776 |
121 | PVQ | 0.8776 |
122 | FXH | 0.8775 |
123 | 54X | 0.8775 |
124 | 7AP | 0.8771 |
125 | B61 | 0.8770 |
126 | CG | 0.8770 |
127 | ZON | 0.8769 |
128 | ML2 | 0.8765 |
129 | ZSP | 0.8765 |
130 | QH3 | 0.8763 |
131 | EXL | 0.8757 |
132 | 2UD | 0.8756 |
133 | KED | 0.8755 |
134 | 3D3 | 0.8754 |
135 | 3L1 | 0.8751 |
136 | APQ | 0.8750 |
137 | 3EB | 0.8743 |
138 | NPA | 0.8742 |
139 | 57O | 0.8742 |
140 | QMS | 0.8738 |
141 | 3G3 | 0.8734 |
142 | H05 | 0.8732 |
143 | QTS | 0.8725 |
144 | CR1 | 0.8724 |
145 | ALE | 0.8718 |
146 | JXQ | 0.8717 |
147 | GC2 | 0.8716 |
148 | NFZ | 0.8712 |
149 | X0T | 0.8708 |
150 | BC3 | 0.8701 |
151 | NEU | 0.8699 |
152 | 5NS | 0.8697 |
153 | ZYC | 0.8697 |
154 | 4AB | 0.8695 |
155 | NEO | 0.8694 |
156 | 9LI | 0.8692 |
157 | TWB | 0.8688 |
158 | 7SX | 0.8688 |
159 | A0O | 0.8683 |
160 | PYU | 0.8678 |
161 | X2M | 0.8671 |
162 | M4E | 0.8668 |
163 | H2B | 0.8664 |
164 | BHS | 0.8661 |
165 | M5H | 0.8660 |
166 | M5N | 0.8660 |
167 | NIY | 0.8659 |
168 | 5ER | 0.8653 |
169 | NQH | 0.8650 |
170 | GNG | 0.8644 |
171 | MPP | 0.8639 |
172 | 327 | 0.8638 |
173 | 7PS | 0.8626 |
174 | XJE | 0.8623 |
175 | XJ2 | 0.8620 |
176 | TR7 | 0.8613 |
177 | THM | 0.8612 |
178 | B2E | 0.8608 |
179 | QBM | 0.8604 |
180 | 43O | 0.8595 |
181 | EYJ | 0.8594 |
182 | SY4 | 0.8591 |
183 | LLG | 0.8581 |
184 | 5HG | 0.8576 |
185 | OW7 | 0.8568 |
186 | C8O | 0.8556 |
187 | FUJ | 0.8556 |
188 | 61M | 0.8555 |
189 | W22 | 0.8551 |
190 | GOE | 0.8543 |
191 | PRF | 0.8514 |
This union binding pocket(no: 1) in the query (biounit: 5dhu.bio1) has 55 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5dhu.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 5dhu.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 5dhu.bio1) has 55 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |