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- 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 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 | 0.9409 |
2 | JYW | 0.9323 |
3 | AC2 | 0.9306 |
4 | JXT | 0.9277 |
5 | ZEA | 0.9247 |
6 | 3IB | 0.9244 |
7 | QUB | 0.9235 |
8 | 5HG | 0.9226 |
9 | KWK | 0.9189 |
10 | B5A | 0.9183 |
11 | JYE | 0.9170 |
12 | IPL | 0.9163 |
13 | R4E | 0.9160 |
14 | JXB | 0.9160 |
15 | EYY | 0.9137 |
16 | HWH | 0.9116 |
17 | TRP | 0.9112 |
18 | CTE | 0.9090 |
19 | ZIP | 0.9073 |
20 | ASE | 0.9069 |
21 | Q5M | 0.9063 |
22 | ALJ | 0.9049 |
23 | PMM | 0.9033 |
24 | BC3 | 0.9028 |
25 | 0XR | 0.9017 |
26 | C9M | 0.9014 |
27 | IOP | 0.9010 |
28 | ONZ | 0.8994 |
29 | 4Z9 | 0.8991 |
30 | LLG | 0.8990 |
31 | FIP | 0.8986 |
32 | EXG | 0.8983 |
33 | WA2 | 0.8980 |
34 | DIH | 0.8976 |
35 | IQU | 0.8968 |
36 | STV | 0.8956 |
37 | 7PS | 0.8955 |
38 | B41 | 0.8934 |
39 | 4WF | 0.8930 |
40 | IJ4 | 0.8927 |
41 | SYE | 0.8923 |
42 | 8XL | 0.8920 |
43 | GU7 | 0.8919 |
44 | H4B | 0.8918 |
45 | SJK | 0.8915 |
46 | B2E | 0.8914 |
47 | 1A6 | 0.8912 |
48 | C4E | 0.8901 |
49 | 7PJ | 0.8893 |
50 | CDY | 0.8877 |
51 | 5ER | 0.8869 |
52 | DTE | 0.8860 |
53 | TL5 | 0.8858 |
54 | H35 | 0.8857 |
55 | NEO | 0.8855 |
56 | BB4 | 0.8854 |
57 | HA6 | 0.8854 |
58 | 8Y7 | 0.8849 |
59 | R7T | 0.8845 |
60 | 0QA | 0.8828 |
61 | I2E | 0.8817 |
62 | DBT | 0.8814 |
63 | 3IL | 0.8807 |
64 | X2M | 0.8806 |
65 | M1D | 0.8788 |
66 | D8Q | 0.8787 |
67 | NIP | 0.8786 |
68 | JYT | 0.8784 |
69 | 159 | 0.8782 |
70 | 7HV | 0.8779 |
71 | ITW | 0.8776 |
72 | HL6 | 0.8776 |
73 | 4OG | 0.8768 |
74 | 0FR | 0.8768 |
75 | PE2 | 0.8764 |
76 | 27K | 0.8755 |
77 | RB7 | 0.8753 |
78 | 1HR | 0.8744 |
79 | IM5 | 0.8744 |
80 | ZW2 | 0.8742 |
81 | KYN | 0.8736 |
82 | ML1 | 0.8734 |
83 | UAY | 0.8732 |
84 | 5R9 | 0.8730 |
85 | 1Q2 | 0.8729 |
86 | NFZ | 0.8726 |
87 | 5WN | 0.8726 |
88 | C4F | 0.8723 |
89 | 1Q4 | 0.8723 |
90 | EMU | 0.8717 |
91 | JYK | 0.8717 |
92 | F91 | 0.8714 |
93 | GXG | 0.8711 |
94 | KU1 | 0.8704 |
95 | 1QP | 0.8704 |
96 | ZEZ | 0.8687 |
97 | HAN | 0.8679 |
98 | JD7 | 0.8678 |
99 | TLG | 0.8678 |
100 | P1J | 0.8678 |
101 | FNA | 0.8675 |
102 | GZV | 0.8671 |
103 | BDI | 0.8668 |
104 | 0QV | 0.8667 |
105 | NAL | 0.8659 |
106 | YF3 | 0.8654 |
107 | MQR | 0.8652 |
108 | NIY | 0.8648 |
109 | OSB | 0.8646 |
110 | AX8 | 0.8636 |
111 | 6C5 | 0.8627 |
112 | NXB | 0.8625 |
113 | 0H9 | 0.8624 |
114 | 7MX | 0.8623 |
115 | 8MP | 0.8623 |
116 | 12R | 0.8622 |
117 | 67Y | 0.8612 |
118 | M01 | 0.8606 |
119 | CX5 | 0.8606 |
120 | 3EB | 0.8594 |
121 | GI2 | 0.8586 |
122 | 3D8 | 0.8581 |
123 | TLE | 0.8579 |
124 | MD6 | 0.8570 |
125 | 2UD | 0.8564 |
126 | FT6 | 0.8562 |
127 | CX4 | 0.8540 |
128 | TLM | 0.8538 |
129 | WDW | 0.8536 |
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 |